Summary

IMPPAT Phytochemical identifier: IMPHY006411

Phytochemical name: Oripavine

Synonymous chemical names:
oripavine

External chemical identifiers:
CID:5462306, ChEMBL:CHEMBL437602, ChEBI:7782, FDASRS:575AOU51CR, SureChEMBL:SCHEMBL37889

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Chemical structure information

SMILES:
COC1=CC=C2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O

InChI:
InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1

InChIKey:
ZKLXUUYLEHCAMF-UUWFMWQGSA-N

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

Functional groups:
CN(C)C, 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: 2.557

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Chemical structure download