Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5VL0N
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| Ligand Name |
(8~{r},9~{s},13~{s},14~{s},16~{e})-13-Methyl-3-Oxidanyl-16-(Phenylmethylidene)-6,7,8,9,11,12,14,15-Octahydrocyclopenta[a]phenanthren-17-One
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| Synonyms |
a]phenanthren-17-one; 16-benzylidene estrone; 16-benzylidene-estrone; CHEMBL1628056; ZINC13681698; AKOS027475823; J3.584.062A; (16E)-16-Benzylidene-3beta-hydroxyestra-1,3,5(10)-triene-17-one; (8~{r},9~{s},13~{s},14~{s},16~{e})-13-Methyl-3-Oxidanyl-16-(Phenylmethylidene)-6,7,8,9,11,12,14,15-Octahydrocyclopenta[a]phenanthren-17-One; 6WN
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| Structure |
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Download2D MOL |
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| Formula |
C25H26O2
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| Canonical SMILES |
CC12CCC3C(C1CC(=CC4=CC=CC=C4)C2=O)CCC5=C3C=CC(=C5)O
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| InChI |
1S/C25H26O2/c1-25-12-11-21-20-10-8-19(26)14-17(20)7-9-22(21)23(25)15-18(24(25)27)13-16-5-3-2-4-6-16/h2-6,8,10,13-14,21-23,26H,7,9,11-12,15H2,1H3/b18-13+/t21-,22-,23+,25+/m1/s1
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| InChIKey |
QXZFHNQLOFFUHO-XCFFBTTBSA-N
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| PubChem Compound ID | ||||
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