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| Ligand ID | IWJ |
| InChI | InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-23,34-36,41-42,44H,6,24-27H2,1-5,7-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t34-,35+,36-,40+/m0/s1 |
| InChIKey | WOJYJHBMWRNRJG-ITGJSFTBSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)C[C@@]1(O)C(=C)C[C@@H](O)CC1(C)C)\C=C\C=C(C)\C=C\[C@H]2C(=C[C@H](O)CC2(C)C)C | | OpenEye OEToolkits 2.0.7 | CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC2(C(=C)CC(CC2(C)C)O)O)C)C)(C)C)O | | OpenEye OEToolkits 2.0.7 | CC1=C[C@@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)C[C@]2(C(=C)C[C@H](CC2(C)C)O)O)/C)/C)(C)C)O | | CACTVS 3.385 | CC(=CC=CC=C(C)C=CC=C(C)C(=O)C[C]1(O)C(=C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C |
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| Formula | C40 H56 O4 |
| Name | (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one;
Prasinoxanthin |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7yca Chain 1 Residue 611
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[View ligand structure]
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