Summary

IMPPAT Phytochemical identifier: IMPHY002230

Phytochemical name: Corydaline

Synonymous chemical names:
corydaline

External chemical identifiers:
CID:101301, ChEMBL:CHEMBL2165401, ChEBI:14027, ZINC:ZINC000025692299, FDASRS:08N392L8VX, SureChEMBL:SCHEMBL230676, MolPort-001-740-784

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Chemical structure information

SMILES:
COc1cc2CCN3[C@@H](c2cc1OC)[C@@H](C)c1c(C3)c(OC)c(cc1)OC

InChI:
InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1

InChIKey:
VRSRXLJTYQVOHC-YEJXKQKISA-N

DeepSMILES:
COcccCCN[C@@H]c6cc%10OC)))))[C@@H]C)ccC6)cOC))ccc6))OC

Functional groups:
CN(C)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1c3ccccc3CCN1C2

Scaffold Graph/Node level:
C1CCC2CN3CCC4CCCCC4C3CC2C1

Scaffold Graph level:
C1CCC2CC3C(CCC4CCCCC43)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Protoberberine alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Protoberberine alkaloids

NP-Likeness score: 1.055

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Chemical structure download