| PDB CCD ID: | HVF |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C22 H31 N O4 |
| InChI: | InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24-25H,7,10-12H2,1-4H3/b6-5+/t13-,14-,15+,16-,17-,22-/m1/s1 |
| InChIKey: | YHKYFYCSTJGMID-OIKIKICYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC=C[CH]1C=C[CH]2C[CH](C)CC[CH]2[C]1(C)C(=O)C3=C(O)[CH](CO)N(C)C3=O | | OpenEye OEToolkits 2.0.7 | C/C=C/C1C=C[C@@H]2C[C@@H](CC[C@H]2[C@]1(C)C(=O)C3=C([C@H](N(C3=O)C)CO)O)C | | CACTVS 3.385 | C/C=C/[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(=O)C3=C(O)[C@@H](CO)N(C)C3=O | | OpenEye OEToolkits 2.0.7 | CC=CC1C=CC2CC(CCC2C1(C)C(=O)C3=C(C(N(C3=O)C)CO)O)C |
|
| Name: | Equisetin;
(2R)-4-[[(1S,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]carbonyl]-2-(hydroxymethyl)-1-methyl-3-oxidanyl-2H-pyrrol-5-one |
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