Summary
SMILES: CO[C@H]1[C@H](C)[C@@H]2CC(=O)O[C@H]3[C@@]2(C(C1OC(=O)c1ccc2c(c1)OCO2)[C@]1(C)[C@@H](C3)CC[C@@H](C1=O)OC(=O)C)CInChI: InChI=1S/C30H36O10/c1-14-18-12-23(32)39-22-11-17-7-9-20(38-15(2)31)27(33)29(17,3)26(30(18,22)4)25(24(14)35-5)40-28(34)16-6-8-19-21(10-16)37-13-36-19/h6,8,10,14,17-18,20,22,24-26H,7,9,11-13H2,1-5H3/t14-,17-,18+,20+,22-,24+,25?,26?,29+,30-/m1/s1InChIKey: YCZNVLDLPPSWPK-OCAQMLFFSA-N
DeepSMILES: CO[C@H][C@H]C)[C@@H]CC=O)O[C@H][C@@]6CC%10OC=O)cccccc6)OCO5)))))))))))[C@]C)[C@@H]C6)CC[C@@H]C6=O))OC=O)C)))))))))C
Scaffold Graph/Node/Bond level: O=C1CC2CCC(OC(=O)c3ccc4c(c3)OCO4)C3C4C(=O)CCCC4CC(O1)C23
Scaffold Graph/Node level: OC1CC2CCC(OC(O)C3CCC4OCOC4C3)C3C4C(O)CCCC4CC(O1)C23
Scaffold Graph level: CC1CC2CCC(CC(C)C3CCC4CCCC4C3)C3C4C(C)CCCC4CC(C1)C23
Functional groups: CC(=O)OC; CC(C)=O; COC; c1cOCO1; cC(=O)OC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Terpene lactones
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Triterpenoids
NP Classifier Class: Quassinoids
Synonymous chemical names:javanicin n
External chemical identifiers:CID:132472136
Chemical structure download