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| Ligand ID | A1LWB |
| InChI | InChI=1S/C24H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(25)18(5)20-14-28-24(27)21(20)23(19)26/h8,10,12,25-26H,6-7,9,11,13-14H2,1-5H3 |
| InChIKey | HKULYCOWDDIJCV-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(C)c2COC(=O)c2c1O | | OpenEye OEToolkits 2.0.7 | Cc1c2c(c(c(c1O)CC=C(C)CCC=C(C)CCC=C(C)C)O)C(=O)OC2 | | CACTVS 3.385 | CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)c(C)c2COC(=O)c2c1O | | OpenEye OEToolkits 2.0.7 | Cc1c2c(c(c(c1O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C(=O)OC2 |
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| Formula | C24 H32 O4 |
| Name | 4-farnesyl-3,5-dihydroxy-6-methylphthalide;
4-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8xte Chain E Residue 402
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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