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PredicateValue (sorted: none)
rdfs:label
"(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL"
rdf:type
ns1:drugs
ns1:description
" experimental This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group. Hydroxysteroids Organic Compounds Lipids Steroids and Steroid Derivatives Hydroxysteroids Phenanthrenes and Derivatives Tetralins Phenols and Derivatives Cyclic Alcohols and Derivatives Secondary Alcohols Ethers Enols Polyamines phenanthrene tetralin phenol derivative benzene cyclic alcohol secondary alcohol polyamine ether enol alcohol logP 3.18 ALOGPS logS -4.7 ALOGPS Water Solubility 7.06e-03 g/l ALOGPS logP 3.32 ChemAxon IUPAC Name (1R,10S,11S,14S,15S,17S)-17-(methoxymethyl)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol ChemAxon Traditional IUPAC Name (1R,10S,11S,14S,15S,17S)-17-(methoxymethyl)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol ChemAxon Molecular Weight 316.4345 ChemAxon Monoisotopic Weight 316.203844762 ChemAxon SMILES [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])[C@@]([H])(COC)C[C@]12C ChemAxon Molecular Formula C20H28O3 ChemAxon InChI InChI=1S/C20H28O3/c1-20-10-13(11-23-2)19-15-6-4-14(21)9-12(15)3-5-16(19)17(20)7-8-18(20)22/h4,6,9,13,16-19,21-22H,3,5,7-8,10-11H2,1-2H3/t13-,16+,17+,18+,19-,20+/m1/s1 ChemAxon InChIKey InChIKey=LEOPSILMAOYZBO-IUTAEKPZSA-N ChemAxon Polar Surface Area (PSA) 49.69 ChemAxon Refractivity 91.06 ChemAxon Polarizability 36.53 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 10.31 ChemAxon pKa (strongest basic) -0.89 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 23728517 PubChem Substance 99444178 ChemSpider 21169213 PDB EED BE0000123 Estrogen receptor Human # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown Estrogen receptor Involved in transcription factor activity Nuclear hormone receptor. The steroid hormones and their receptors are involved in the regulation of eukaryotic gene expression and affect cellular proliferation and differentiation in target tissues ESR1 6q25.1 Nucleus None 8.14 66217.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:3467 GenAtlas ESR1 GeneCards ESR1 GenBank Gene Database X03635 GenBank Protein Database 31234 IUPHAR 620 Guide to Pharmacology 107 UniProtKB P03372 UniProt Accession ESR1_HUMAN ER ER-alpha Estradiol receptor >Estrogen receptor MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAY EFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPF LQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAK ETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQAC RLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKR SKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINW AKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEG MVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLD KITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLL LEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV >1788 bp ATGACCATGACCCTCCACACCAAAGCATCTGGGATGGCCCTACTGCATCAGATCCAAGGG AACGAGCTGGAGCCCCTGAACCGTCCGCAGCTCAAGATCCCCCTGGAGCGGCCCCTGGGC GAGGTGTACCTGGACAGCAGCAAGCCCGCCGTGTACAACTACCCCGAGGGCGCCGCCTAC GAGTTCAACGCCGCGGCCGCCGCCAACGCGCAGGTCTACGGTCAGACCGGCCTCCCCTAC GGCCCCGGGTCTGAGGCTGCGGCGTTCGGCTCCAACGGCCTGGGGGGTTTCCCCCCACTC AACAGCGTGTCTCCGAGCCCGCTGATGCTACTGCACCCGCCGCCGCAGCTGTCGCCTTTC CTGCAGCCCCACGGCCAGCAGGTGCCCTACTACCTGGAGAACGAGCCCAGCGGCTACACG GTGCGCGAGGCCGGCCCGCCGGCATTCTACAGGCCAAATTCAGATAATCGACGCCAGGGT GGCAGAGAAAGATTGGCCAGTACCAATGACAAGGGAAGTATGGCTATGGAATCTGCCAAG GAGACTCGCTACTGTGCAGTGTGCAATGACTATGCTTCAGGCTACCATTATGGAGTCTGG TCCTGTGAGGGCTGCAAGGCCTTCTTCAAGAGAAGTATTCAAGGACATAACGACTATATG TGTCCAGCCACCAACCAGTGCACCATTGATAAAAACAGGAGGAAGAGCTGCCAGGCCTGC CGGCTCCGCAAATGCTACGAAGTGGGAATGATGAAAGGTGGGATACGAAAAGACCGAAGA GGAGGGAGAATGTTGAAACACAAGCGCCAGAGAGATGATGGGGAGGGCAGGGGTGAAGTG GGGTCTGCTGGAGACATGAGAGCTGCCAACCTTTGGCCAAGCCCGCTCATGATCAAACGC TCTAAGAAGAACAGCCTGGCCTTGTCCCTGACGGCCGACCAGATGGTCAGTGCCTTGTTG GATGCTGAGCCCCCCATACTCTATTCCGAGTATGATCCTACCAGACCCTTCAGTGAAGCT TCGATGATGGGCTTACTGACCAACCTGGCAGACAGGGAGCTGGTTCACATGATCAACTGG GCGAAGAGGGTGCCAGGCTTTGTGGATTTGACCCTCCATGATCAGGTCCACCTTCTAGAA TGTGCCTGGCTAGAGATCCTGATGATTGGTCTCGTCTGGCGCTCCATGGAGCACCCAGTG AAGCTACTGTTTGCTCCTAACTTGCTCTTGGACAGGAACCAGGGAAAATGTGTAGAGGGC ATGGTGGAGATCTTCGACATGCTGCTGGCTACATCATCTCGGTTCCGCATGATGAATCTG CAGGGAGAGGAGTTTGTGTGCCTCAAATCTATTATTTTGCTTAATTCTGGAGTGTACACA TTTCTGTCCAGCACCCTGAAGTCTCTGGAAGAGAAGGACCATATCCACCGAGTCCTGGAC AAGATCACAGACACTTTGATCCACCTGATGGCCAAGGCAGGCCTGACCCTGCAGCAGCAG CACCAGCGGCTGGCCCAGCTCCTCCTCATCCTCTCCCACATCAGGCACATGAGTAACAAA GGCATGGAGCATCTGTACAGCATGAAGTGCAAGAACGTGGTGCCCCTCTATGACCTGCTG CTGGAGATGCTGGACGCCCACCGCCTACATGCGCCCACTAGCCGTGGAGGGGCATCCGTG GAGGAGACGGACCAAAGCCACTTGGCCACTGCGGGCTCTACTTCATCGCATTCCTTGCAA AAGTATTACATCACGGGGGAGGCAGAGGGTTTCCCTGCCACAGTCTGA PF00104 Hormone_recep PF00105 zf-C4 PF02159 Oest_recep component intracellular membrane-bound organelle component nucleus component organelle component membrane-bound organelle function signal transducer activity function receptor activity function nucleic acid binding function binding function steroid hormone receptor activity function ion binding function transcription factor activity function steroid binding function cation binding function ligand-dependent nuclear receptor activity function transition metal ion binding function DNA binding function zinc ion binding process regulation of cellular metabolism process regulation of nucleobase, nucleoside, nucleotide and nucleic acid metabolism process regulation of transcription process regulation of transcription, DNA-dependent process regulation of biological process process regulation of physiological process process regulation of metabolism BE0003740 Nuclear receptor coactivator 2 Human # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown Nuclear receptor coactivator 2 Involved in nuclear hormone receptor binding Transcriptional coactivator for steroid receptors and nuclear receptors. Coactivator of the steroid binding domain (AF- 2) but not of the modulating N-terminal domain (AF-1). Required with NCOA1 to control energy balance between white and brown adipose tissues NCOA2 8q13.3 Nucleus None 6.62 159155.6 Human HUGO Gene Nomenclature Committee (HGNC) GNC:7669 GeneCards NCOA2 GenBank Gene Database X97674 GenBank Protein Database 1877215 UniProtKB Q15596 UniProt Accession NCOA2_HUMAN hTIF2 NCoA-2 Transcriptional intermediary factor 2 >Nuclear receptor coactivator 2 MSGMGENTSDPSRAETRKRKECPDQLGPSPKRNTEKRNREQENKYIEELAELIFANFNDI DNFNFKPDKCAILKETVKQIRQIKEQEKAAAANIDEVQKSDVSSTGQGVIDKDALGPMML EALDGFFFVVNLEGNVVFVSENVTQYLRYNQEELMNKSVYSILHVGDHTEFVKNLLPKSI VNGGSWSGEPPRRNSHTFNCRMLVKPLPDSEEEGHDNQEAHQKYETMQCFAVSQPKSIKE EGEDLQSCLICVARRVPMKERPVLPSSESFTTRQDLQGKITSLDTSTMRAAMKPGWEDLV RRCIQKFHAQHEGESVSYAKRHHHEVLRQGLAFSQIYRFSLSDGTLVAAQTKSKLIRSQT TNEPQLVISLHMLHREQNVCVMNPDLTGQTMGKPLNPISSNSPAHQALCSGNPGQDMTLS SNINFPINGPKEQMGMPMGRFGGSGGMNHVSGMQATTPQGSNYALKMNSPSQSSPGMNPG QPTSMLSPRHRMSPGVAGSPRIPPSQFSPAGSLHSPVGVCSSTGNSHSYTNSSLNALQAL SEGHGVSLGSSLASPDLKMGNLQNSPVNMNPPPLSKMGSLDSKDCFGLYGEPSEGTTGQA ESSCHPGEQKETNDPNLPPAVSSERADGQSRLHDSKGQTKLLQLLTTKSDQMEPSPLASS LSDTNKDSTGSLPGSGSTHGTSLKEKHKILHRLLQDSSSPVDLAKLTAEATGKDLSQESS STAPGSEVTIKQEPVSPKKKENALLRYLLDKDDTKDIGLPEITPKLERLDSKTDPASNTK LIAMKTEKEEMSFEPGDQPGSELDNLEEILDDLQNSQLPQLFPDTRPGAPAGSVDKQAII NDLMQLTAENSPVTPVGAQKTALRISQSTFNNPRPGQLGRLLPNQNLPLDITLQSPTGAG PFPPIRNSSPYSVIPQPGMMGNQGMIGNQGNLGNSSTGMIGNSASRPTMPSGEWAPQSSA VRVTCAATTSAMNRPVQGGMIRNPAASIPMRPSSQPGQRQTLQSQVMNIGPSELEMNMGG PQYSQQQAPPNQTAPWPESILPIDQASFASQNRQPFGSSPDDLLCPHPAAESPSDEGALL DQLYLALRNFDGLEEIDRALGIPELVSQSQAVDPEQFSSQDSNIMLEQKAPVFPQQYASQ AQMAQGSYSPMQDPNFHTMGQRPSYATLRMQPRPGLRPTGLVQNQPNQLRLQLQHRLQAQ QNRQPLMNQISNVSNVNLTLRPGVPTQAPINAQMLAQRQREILNQHLRQRQMHQQQQVQQ RTLMMRGQGLNMTPSMVAPSGMPATMSNPRIPQANAQQFPFPPNYGISQQPDPGFTGATT PQSPLMSPRMAHTQSPMMQQSQANPAYQAPSDINGWAQGNMGGNSMFSQQSPPHFGQQAN TSMYSNNMNINVSMATNTGGMSSMNQMTGQISMTSVTSVPTSGLSSMGPEQVNDPALRGG NLFPNQLPGMDMIKQEGDTTRKYC >4395 bp ATGAGTGGGATGGGAGAAAATACCTCTGACCCCTCCAGGGCAGAGACAAGAAAGCGCAAG GAATGTCCTGACCAACTTGGACCCAGCCCCAAAAGGAACACTGAAAAACGTAATCGTGAA CAGGAAAATAAATATATAGAAGAACTTGCAGAGTTGATTTTTGCAAATTTTAATGATATA GACAACTTTAACTTCAAACCTGACAAATGTGCAATCTTAAAAGAAACTGTGAAGCAAATT CGTCAGATCAAAGAACAAGAGAAAGCAGCAGCTGCCAACATAGATGAAGTGCAGAAGTCA GATGTATCCTCTACAGGGCAGGGTGTCATCGACAAGGATGCGCTGGGGCCTATGATGCTT GAGGCCCTTGATGGGTTCTTCTTTGTAGTGAACCTGGAAGGCAACGTTGTGTTTGTGTCA GAGAATGTGACACAGTATCTAAGGTATAACCAAGAAGAGCTGATGAACAAAAGTGTATAT AGCATCTTGCATGTTGGGGACCACACGGAATTTGTCAAAAACCTGCTGCCAAAGTCTATA GTAAATGGGGGATCTTGGTCTGGCGAACCTCCGAGGCGGAACAGCCATACCTTCAATTGT CGGATGCTGGTAAAACCTTTACCTGATTCAGAAGAGGAGGGTCATGATAACCAGGAAGCT CATCAGAAATATGAAACTATGCAGTGCTTCGCTGTCTCTCAACCAAAGTCCATCAAAGAA GAAGGAGAAGATTTGCAGTCCTGCTTGATTTGCGTGGCAAGAAGAGTTCCCATGAAGGAA AGACCAGTTCTTCCCTCATCAGAAAGTTTTACTACTCGCCAGGATCTCCAAGGCAAGATC ACGTCTCTGGATACCAGCACCATGAGAGCAGCCATGAAACCAGGCTGGGAGGACCTGGTA AGAAGGTGTATTCAGAAGTTCCATGCGCAGCATGAAGGAGAATCTGTGTCCTATGCTAAG AGGCATCATCATGAAGTACTGAGACAAGGATTGGCATTCAGTCAAATCTATCGTTTTTCC TTGTCTGATGGCACTCTTGTTGCTGCACAAACGAAGAGCAAACTCATCCGTTCTCAGACT ACTAATGAACCTCAACTTGTAATATCTTTACATATGCTTCACAGAGAGCAGAATGTGTGT GTGATGAATCCGGATCTGACTGGACAAACGATGGGGAAGCCACTGAATCCAATTAGCTCT AACAGCCCTGCCCATCAGGCCCTGTGCAGTGGGAACCCAGGTCAGGACATGACCCTCAGT AGCAATATAAATTTTCCCATAAATGGCCCAAAGGAACAAATGGGCATGCCCATGGGCAGG TTTGGTGGTTCTGGGGGAATGAACCATGTGTCAGGCATGCAAGCAACCACTCCTCAGGGT AGTAACTATGCACTCAAAATGAACAGCCCCTCACAAAGCAGCCCTGGCATGAATCCAGGA CAGCCCACCTCCATGCTTTCACCAAGGCATCGCATGAGCCCTGGAGTGGCTGGCAGCCCT CGAATCCCACCCAGTCAGTTTTCCCCTGCAGGAAGCTTGCATTCCCCTGTGGGAGTTTGC AGCAGCACAGGAAATAGCCATAGTTATACCAACAGCTCCCTCAATGCACTTCAGGCCCTC AGCGAGGGGCACGGGGTCTCATTAGGGTCATCGTTGGCTTCACCAGACCTAAAAATGGGC AATTTGCAAAACTCCCCAGTTAATATGAATCCTCCCCCACTCAGCAAGATGGGAAGCTTG GACTCAAAAGACTGTTTTGGACTATATGGGGAGCCCTCTGAAGGTACAACTGGACAAGCA GAGAGCAGCTGCCATCCTGGAGAGCAAAAGGAAACAAATGACCCCAACCTGCCCCCGGCC GTGAGCAGTGAGAGAGCTGACGGGCAGAGCAGACTGCATGACAGCAAAGGGCAGACCAAA CTCCTGCAGCTGCTGACCACCAAATCTGATCAGATGGAGCCCTCGCCCTTAGCCAGCTCT TTGTCGGATACAAACAAAGACTCCACAGGTAGCTTGCCTGGTTCTGGGTCTACACATGGA ACCTCGCTCAAGGAGAAGCATAAAATTTTGCACAGACTCTTGCAGGACAGCAGTTCCCCT GTGGACTTGGCCAAGTTAACAGCAGAAGCCACAGGCAAAGACCTGAGCCAGGAGTCCAGC AGCACAGCTCCTGGATCAGAAGTGACTATTAAACAAGAGCCGGTGAGCCCCAAGAAGAAA GAGAATGCACTACTTCGCTATTTGCTAGATAAAGATGATACTAAAGATATTGGTTTACCA GAAATAACCCCCAAACTTGAGAGACTGGACAGTAAGACAGATCCTGCCAGTAACACAAAA TTAATAGCAATGAAAACTGAGAAGGAGGAGATGAGCTTTGAGCCTGGTGACCAGCCTGGC AGTGAGCTGGACAACTTGGAGGAGATTTTGGATGATTTGCAGAATAGTCAATTACCACAG CTTTTCCCAGACACGAGGCCAGGCGCCCCTGCTGGATCAGTTGACAAGCAAGCCATCATC AATGACCTCATGCAACTCACAGCTGAAAACAGCCCTGTCACACCTGTTGGAGCCCAGAAA ACAGCACTGCGAATTTCACAGAGCACTTTTAATAACCCACGACCAGGGCAACTGGGCAGG TTATTGCCAAACCAGAATTTACCACTTGACATCACATTGCAAAGCCCAACTGGTGCTGGA CCTTTCCCACCAATCAGAAACAGTAGTCCCTACTCAGTGATACCTCAGCCAGGAATGATG GGTAATCAAGGGATGATAGGAAACCAAGGAAATTTAGGGAACAGTAGCACAGGAATGATT GGTAACAGTGCTTCTCGGCCTACTATGCCATCTGGAGAATGGGCACCGCAGAGTTCGGCT GTGAGAGTCACCTGTGCTGCTACCACCAGTGCCATGAACCGGCCAGTCCAAGGAGGTATG ATTCGGAACCCAGCAGCCAGCATCCCCATGAGGCCCAGCAGCCAGCCTGGCCAAAGACAG ACGCTTCAGTCTCAGGTCATGAATATAGGGCCATCTGAATTAGAGATGAACATGGGGGGA CCTCAGTATAGCCAACAACAAGCTCCTCCAAATCAGACTGCCCCATGGCCTGAAAGCATC CTGCCTATAGACCAGGCGTCTTTTGCCAGCCAAAACAGGCAGCCATTTGGCAGTTCTCCA GATGACTTGCTATGTCCACATCCTGCAGCTGAGTCTCCGAGTGATGAGGGAGCTCTCCTG GACCAGCTGTATCTGGCCTTGCGGAATTTTGATGGCCTGGAGGAGATTGATAGAGCCTTA GGAATACCCGAACTGGTCAGCCAGAGCCAAGCAGTAGATCCAGAACAGTTCTCAAGTCAG GATTCCAACATCATGCTGGAGCAGAAGGCGCCCGTTTTCCCACAGCAGTATGCATCTCAG GCACAAATGGCCCAGGGTAGCTATTCTCCCATGCAAGATCCAAACTTTCACACCATGGGA CAGCGGCCTAGTTATGCCACACTCCGTATGCAGCCCAGACCGGGCCTCAGGCCCACGGGC CTAGTGCAGAACCAGCCAAATCAACTAAGACTTCAACTTCAGCATCGCCTCCAAGCACAG CAGAATCGCCAGCCACTTATGAATCAAATCAGCAATGTTTCCAATGTGAACTTGACTCTG AGGCCTGGAGTACCAACACAGGCACCTATTAATGCACAGATGCTGGCCCAGAGACAGAGG GAAATCCTGAACCAGCATCTTCGACAGAGACAAATGCATCAGCAACAGCAAGTTCAGCAA CGAACTTTGATGATGAGAGGACAAGGGTTGAATATGACACCAAGCATGGTGGCTCCTAGT GGTATGCCAGCAACTATGAGCAACCCTCGGATTCCCCAGGCAAATGCACAGCAGTTTCCA TTTCCTCCAAACTACGGAATAAGTCAGCAACCTGATCCAGGCTTTACTGGGGCTACGACT CCCCAGAGCCCACTTATGTCACCCCGAATGGCACATACACAGAGTCCCATGATGCAACAG TCTCAGGCCAACCCAGCCTATCAGGCCCCCTCCGACATAAATGGATGGGCGCAGGGGAAC ATGGGCGGAAACAGCATGTTTTCCCAGCAGTCCCCACCACACTTTGGGCAGCAAGCAAAC ACCAGCATGTACAGTAACAACATGAACATCAATGTGTCCATGGCGACCAACACAGGTGGC ATGAGCAGCATGAACCAGATGACAGGACAGATCAGCATGACCTCAGTGACCTCCGTGCCT ACGTCAGGGCTGTCCTCCATGGGTCCCGAGCAGGTTAATGATCCTGCTCTGAGGGGAGGC AACCTGTTCCCAAACCAGCTGCCTGGAATGGATATGATTAAGCAGGAGGGAGACACAACA CGGAAATATTGCTGA PF00989 PAS PF07469 DUF1518 PF08815 Nuc_rec_co-act PF08832 SRC-1 component organelle component membrane-bound organelle component intracellular membrane-bound organelle component nucleus function protein binding function signal transducer activity function transcription factor binding function transcription regulator activity function transcription cofactor activity function transcription coactivator activity function binding process regulation of cellular metabolism process regulation of nucleobase, nucleoside, nucleotide and nucleic acid metabolism process regulation of transcription process regulation of transcription, DNA-dependent process cellular process process cell communication process signal transduction process regulation of biological process process regulation of physiological process process regulation of metabolism "

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