Summary
SMILES: COCC12CCC(C34C2CC(C3N(C1)CC)C1(C2C4CC(C2OC(=O)/C=C/c2ccc(c(c2)OC)OC)C(C1)OC)O)OInChI: InChI=1S/C34H47NO8/c1-6-35-17-32(18-39-2)12-11-27(36)34-21-14-20-25(42-5)16-33(38,22(31(34)35)15-26(32)34)29(21)30(20)43-28(37)10-8-19-7-9-23(40-3)24(13-19)41-4/h7-10,13,20-22,25-27,29-31,36,38H,6,11-12,14-18H2,1-5H3/b10-8+InChIKey: OSGULNOCFPGGSK-CSKARUKUSA-N
DeepSMILES: COCCCCCCC6CCC5NC%11)CC))))CCC7CCC5OC=O)/C=C/cccccc6)OC)))OC)))))))))))CC7)OC)))))))O))))))O
Scaffold Graph/Node/Bond level: O=C(C=Cc1ccccc1)OC1C2CCC3C4CC5C6CCCC5(C(C2)C31)C4NC6
Scaffold Graph/Node level: OC(CCC1CCCCC1)OC1C2CCC3C4CC5C6CCCC5(C(C2)C31)C4NC6
Scaffold Graph level: CC(CCC1CCCCC1)CC1C2CCC3C4CC5C6CCCC5(C4CC6)C(C2)C13
Functional groups: CN(C)C; CO; COC; c/C=C/C(=O)OC; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Diterpenoids
NP Classifier Biosynthetic pathway: Alkaloids|Terpenoids
NP Classifier Superclass: Pseudoalkaloids
NP Classifier Class: Terpenoid alkaloids
Synonymous chemical names:gymnaconitine
External chemical identifiers:CID:6442091
Chemical structure download