Summary
SMILES: COC12C(=O)C3C(C1C1C2(OC)C(=O)C2C1C1=C2C(CCc2c1c(OC)c(c(c2)OC)OC)NC(=O)C)C1=C3C(CCc2c1c(OC)c(c(c2)OC)OC)NC(=O)CInChI: InChI=1S/C44H50N2O12/c1-17(47)45-21-13-11-19-15-23(51-3)37(53-5)39(55-7)25(19)29-27(21)33-31(29)35-36-32-30-26-20(16-24(52-4)38(54-6)40(26)56-8)12-14-22(46-18(2)48)28(30)34(32)42(50)44(36,58-10)43(35,57-9)41(33)49/h15-16,21-22,31-36H,11-14H2,1-10H3,(H,45,47)(H,46,48)InChIKey: HPWDTDJUHQAWMO-UHFFFAOYSA-N
DeepSMILES: COCC=O)CCC5CC7OC))C=O)CC5C=C4CCCcc7cOC))ccc6)OC)))OC))))))))NC=O)C))))))))))))C=C4CCCcc7cOC))ccc6)OC)))OC))))))))NC=O)C
Scaffold Graph/Node/Bond level: O=C1C2C3=C(c4ccccc4CCC3)C2C2C1C1C(=O)C3C4=C(c5ccccc5CCC4)C3C12
Scaffold Graph/Node level: OC1C2C3CCCC4CCCCC4C3C2C2C1C1C(O)C3C4CCCC5CCCCC5C4C3C12
Scaffold Graph level: CC1C2C3CCCC4CCCCC4C3C2C2C1C1C(C)C3C4CCCC5CCCCC5C4C3C12
Functional groups: CC(C)=O; CNC(C)=O; COC; cC1=C(C)CC1; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Lumicolchicine alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Phenethylisoquinoline alkaloids
Synonymous chemical names:alpha-lumicolchicine
External chemical identifiers:CID:632030
Chemical structure download