PDB CCD ID: | 216 | ||||||||||||
Number of entries in BioLiP: | 2 | ||||||||||||
Chemical formula: | C25 H30 N2 O3 | ||||||||||||
InChI: | InChI=1S/C25H30N2O3/c1-3-15-26-21(17-19-11-7-5-8-12-19)23(28)24(29)22(27(16-4-2)25(26)30)18-20-13-9-6-10-14-20/h3-14,21-24,28-29H,1-2,15-18H2/t21-,22-,23+,24+/m1/s1 | ||||||||||||
InChIKey: | IWJSQELMWLOYSO-LWSSLDFYSA-N | ||||||||||||
SMILES: |
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Name: | [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE; XK216 | ||||||||||||
ChEMBL: | CHEMBL284314 | ||||||||||||
DrugBank: | DB06910 | ||||||||||||
ZINC: | ZINC000003786324 |

Reference: