IMPPAT Phytochemical information:
Cryptopine
Summary
IMPPAT Phytochemical identifier: IMPHY006118
Phytochemical name: Cryptopine
Synonymous chemical names:cryptocavine, cryptopine
External chemical identifiers:CID:72616, ChEMBL:CHEMBL1339015, ZINC:ZINC000019632726, FDASRS:MW13X5YK4A, SureChEMBL:SCHEMBL178039, MolPort-001-742-769
Chemical structure information
SMILES:
COc1cc2C(=O)Cc3ccc4c(c3CN(CCc2cc1OC)C)OCO4InChI:
InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3InChIKey:
XPOJSWHIKCNLEQ-UHFFFAOYSA-NDeepSMILES:
COcccC=O)Ccccccc6CNCCc%14cc%18OC)))))))C))))OCO5Functional groups:
CN(C)C, c1cOCO1, cC(C)=O, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1Cc2ccc3c(c2CNCCc2ccccc21)OCO3Scaffold Graph/Node level:
OC1CC2CCC3OCOC3C2CNCCC2CCCCC12Scaffold Graph level:
CC1CC2CCC3CCCC3C2CCCCC2CCCCC12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Protopine alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Protopine alkaloids
NP-Likeness score: 0.757
Chemical structure download