Summary

IMPPAT Phytochemical identifier: IMPHY009169

Phytochemical name: Oliveridine

Synonymous chemical names:
oliveridine

External chemical identifiers:
CID:13891891, ChEMBL:CHEMBL506088, ZINC:ZINC000014618026

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Chemical structure information

SMILES:
COc1ccc2-c3c4OCOc4cc4c3[C@@H]([C@H](c2c1)O)N(C)CC4

InChI:
InChI=1S/C19H19NO4/c1-20-6-5-10-7-14-19(24-9-23-14)16-12-4-3-11(22-2)8-13(12)18(21)17(20)15(10)16/h3-4,7-8,17-18,21H,5-6,9H2,1-2H3/t17-,18-/m0/s1

InChIKey:
HKTOYUUCGONYEC-ROUUACIJSA-N

DeepSMILES:
COcccc-ccOCOc5ccc9[C@@H][C@H]c%13c%17))O))NC)CC6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cc4c(c-2c31)OCO4

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CC4OCOC4C2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CC4CCCC4C2C13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

ClassyFire Subclass: Hydroxy-7-aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids

NP-Likeness score: 1.609

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Chemical structure download