Summary

IMPPAT Phytochemical identifier: IMPHY003409

Phytochemical name: (S)-Cheilanthifoline

Synonymous chemical names:
(-) cheilanthifoline, cheilanthifoline

External chemical identifiers:
CID:440582, ChEBI:16233, ZINC:ZINC000030725564, SureChEMBL:SCHEMBL18890976

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Chemical structure information

SMILES:
COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c2OCOc2cc1

InChI:
InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1

InChIKey:
FVXCQULKSPVRPK-HNNXBMFYSA-N

DeepSMILES:
COcccCCN[C@H]c6cc%10O))))CccC6)cOCOc5cc9

Functional groups:
CN(C)C, c1cOCO1, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCN1Cc3c(ccc4c3OCO4)CC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCN1CC3C(CCC4OCOC43)CC21

Scaffold Graph level:
C1CCC2C(C1)CCC1CC3C(CCC4CCCC43)CC12

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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: 1.366

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Chemical structure download