Summary
IMPPAT Phytochemical identifier: IMPHY014700
Phytochemical name: Corlumine
Synonymous chemical names:(+)-carlumine
External chemical identifiers:CID:72615, SureChEMBL:SCHEMBL673295
Chemical structure information
SMILES:
COc1cc2c(cc1OC)CCN(C2C1OC(=O)c2c1ccc1c2OCO1)CInChI:
InChI=1S/C21H21NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)18(22)19-12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3InChIKey:
SZDGAZFTAUFFQH-UHFFFAOYSA-NDeepSMILES:
COcccccc6OC))))CCNC6COC=O)cc5cccc6OCO5)))))))))))))CFunctional groups:
CN(C)C, c1cOCO1, cC(=O)OC, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1OC(C2NCCc3ccccc32)c2ccc3c(c21)OCO3Scaffold Graph/Node level:
OC1OC(C2NCCC3CCCCC32)C2CCC3OCOC3C12Scaffold Graph level:
CC1CC(C2CCCC3CCCCC32)C2CCC3CCCC3C12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Phthalide isoquinolines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids, Tetrahydroisoquinoline alkaloids
NP-Likeness score: 1.349
Chemical structure download