Summary

SMILES: C[C@@H]1CC[C@@]2(NC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1C[C@H]2O)(C)CC[C@@H](C3)O)C
InChI: InChI=1S/C27H43NO3/c1-15-7-10-27(28-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(29)8-9-25(17,3)20(19)13-23(30)26(21,24)4/h5,15-16,18-24,28-30H,6-14H2,1-4H3/t15-,16+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1
InChIKey: RQPAECNWOARMKD-ALZPPUPXSA-N
DeepSMILES: C[C@@H]CC[C@@]NC6))O[C@@H][C@H][C@@H]5C))[C@@][C@@H]C5)[C@@H]CC=C[C@][C@H]6C[C@H]%10O))))C)CC[C@@H]C6)O))))))))))C
Scaffold Graph/Node/Bond level: C1=C2CCCCC2C2CCC3C4CC5(CCCCN5)OC4CC3C2C1
Scaffold Graph/Node level: C1CCC2(CC3C(CC4C3CCC3C5CCCCC5CCC34)O2)NC1
Scaffold Graph level: C1CCC2(CC1)CC1CC3C(CCC4C5CCCCC5CCC43)C1C2
Functional groups: CC=C(C)C; CN[C@@](C)(C)OC; CO

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like molecules
ClassyFire Class: Steroids and steroid derivatives
ClassyFire Subclass: Steroidal alkaloids
NP Classifier Biosynthetic pathway: Alkaloids|Terpenoids
NP Classifier Superclass: Pseudoalkaloids
NP Classifier Class: Steroidal alkaloids

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Synonymous chemical names:
solanaviol

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External chemical identifiers:
CID:21573755; ZINC:ZINC000137919061

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Chemical structure download