Summary
IMPPAT Phytochemical identifier: IMPHY007732
Phytochemical name: (-)-Caaverine
Synonymous chemical names:caaverine
External chemical identifiers:CID:23335, ChEBI:84, ZINC:ZINC000030726844
Chemical structure information
SMILES:
COc1cc2CCN[C@H]3c2c(-c2ccccc2C3)c1OInChI:
InChI=1S/C17H17NO2/c1-20-14-9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(15(11)13)17(14)19/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1InChIKey:
DUSFBAYEYGRYOT-CYBMUJFWSA-NDeepSMILES:
COcccCCN[C@H]c6c-cccccc6C%10)))))))c%10OFunctional groups:
CNC, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Aporphines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids
NP-Likeness score: 1.685
Chemical structure download