Summary

IMPPAT Phytochemical identifier: IMPHY009270

Phytochemical name: Oripavidine

Synonymous chemical names:
oripavidine

External chemical identifiers:
CID:44221865, SureChEMBL:SCHEMBL16487931

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Chemical structure information

SMILES:
COC1=CC=C2[C@@]34[C@H]1Oc1c4c(C[C@H]2NCC3)ccc1O

InChI:
InChI=1S/C17H17NO3/c1-20-13-5-3-10-11-8-9-2-4-12(19)15-14(9)17(10,6-7-18-11)16(13)21-15/h2-5,11,16,18-19H,6-8H2,1H3/t11-,16+,17+/m1/s1

InChIKey:
FRLKJAAPFJROFZ-NVGVWMPQSA-N

DeepSMILES:
COC=CC=C[C@][C@H]6Occ5cC[C@H]9NCC%11)))))ccc6O

Functional groups:
CNC, COC1=CC=C(C)CC1, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2Oc3cccc4c3C23CCNC(C4)C3=C1

Scaffold Graph/Node level:
C1CC2CC3NCCC45C(CCCC34)OC(C1)C25

Scaffold Graph level:
C1CC2CC3CCCC45C(CCCC34)CC(C1)C25

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Morphinans

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Morphinan alkaloids

NP-Likeness score: 2.525

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Chemical structure download