| PDB CCD ID: | 1WO |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C20 H26 O3 |
| InChI: | InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1 |
| InChIKey: | FNNZMRSRVYUVQT-AZUAARDMSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(C)C1=CC2=CC(=O)[CH]3C(C)(C)CCC[C]3(C)C2=C(O)C1=O | | OpenEye OEToolkits 1.9.2 | CC(C)C1=CC2=CC(=O)C3C(CCCC3(C2=C(C1=O)O)C)(C)C | | ACDLabs 12.01 | O=C2C(=CC1=CC(=O)C3C(C1=C2O)(CCCC3(C)C)C)C(C)C | | OpenEye OEToolkits 1.9.2 | CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C | | CACTVS 3.385 | CC(C)C1=CC2=CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O |
|
| Name: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione;
taxodione |
| ChEMBL: | CHEMBL235195 |
| ZINC: | ZINC000030726792 |
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