Summary

IMPPAT Phytochemical identifier: IMPHY009161

Phytochemical name: Oliverine

Synonymous chemical names:
oliverine

External chemical identifiers:
CID:24198103, ChEMBL:CHEMBL1980411

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Chemical structure information

SMILES:
COC1c2cc(OC)ccc2-c2c3C1N(C)CCc3cc1c2OCO1.Cl

InChI:
InChI=1S/C20H21NO4.ClH/c1-21-7-6-11-8-15-20(25-10-24-15)17-13-5-4-12(22-2)9-14(13)19(23-3)18(21)16(11)17;/h4-5,8-9,18-19H,6-7,10H2,1-3H3;1H

InChIKey:
XCRFUDLMWTVMSG-UHFFFAOYSA-N

DeepSMILES:
COCcccOC))ccc6-ccC%10NC)CCc6ccc%10OCO5.Cl

Functional groups:
CN(C)C, COC, Cl, 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

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 1.542

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Chemical structure download