Summary
IMPPAT Phytochemical identifier: IMPHY013084
Phytochemical name: Cepharamine
Synonymous chemical names:cepharamine
External chemical identifiers:CID:12302744
Chemical structure information
SMILES:
COC1=C[C@@]23CCc4c([C@@]3(CC1=O)CCN2C)c(O)c(cc4)OCInChI:
InChI=1S/C19H23NO4/c1-20-9-8-18-10-13(21)15(24-3)11-19(18,20)7-6-12-4-5-14(23-2)17(22)16(12)18/h4-5,11,22H,6-10H2,1-3H3/t18-,19+/m0/s1InChIKey:
RARWEROUOQPTCJ-RBUKOAKNSA-NDeepSMILES:
COC=C[C@]CCcc[C@@]6CC%10=O)))CCN9C)))))cO)ccc6))OCFunctional groups:
CN(C)C, COC(=CC)C(C)=O, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1C=CC23CCc4ccccc4C2(CCN3)C1Scaffold Graph/Node level:
OC1CCC23CCC4CCCCC4C2(CCN3)C1Scaffold Graph level:
CC1CCC23CCCC2(C1)C1CCCCC1CC3
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Hasubanan alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Hasubanan alkaloids, Isoquinoline alkaloids
NP-Likeness score: 2.208
Chemical structure download
