Summary
SMILES: COc1cc2c(cc1OC)c1CN3CCCC3C(c1c1c2c(OC)c(OC)cc1)OInChI: InChI=1S/C24H27NO5/c1-27-18-8-7-13-21-16(12-25-9-5-6-17(25)23(21)26)14-10-19(28-2)20(29-3)11-15(14)22(13)24(18)30-4/h7-8,10-11,17,23,26H,5-6,9,12H2,1-4H3InChIKey: MGVIWPMJQXPEDE-UHFFFAOYSA-N
DeepSMILES: COcccccc6OC))))cCNCCCC5Cc9cc%13cOC))cOC))cc6)))))))O
Scaffold Graph/Node/Bond level: c1ccc2c(c1)c1c(c3ccccc32)CN2CCCC2C1
Scaffold Graph/Node level: C1CCC2C(C1)C1CCCCC1C1CN3CCCC3CC21
Scaffold Graph level: C1CC2CC3C4CCCCC4C4CCCCC4C3CC2C1
Functional groups: CN(C)C; CO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: BenzenoidsClassyFire Class: Phenanthrenes and derivatives
ClassyFire Subclass: Phenanthroindolizidines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Lysine alkaloids
NP Classifier Class: Indolizidine alkaloids
Synonymous chemical names:14-hydroxyiso-tylocrebrine, 14-hydroxyisotylocrebrine
External chemical identifiers:CID:13942807
Chemical structure download