Summary

IMPPAT Phytochemical identifier: IMPHY000297

Phytochemical name: 8-Oxypalmatine

Synonymous chemical names:
oxypalmatine

External chemical identifiers:
CID:10926678, ChEMBL:CHEMBL3950972, ZINC:ZINC000014620310, MolPort-039-338-893

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Chemical structure information

SMILES:
COc1cc2CCn3c(-c2cc1OC)cc1c(c3=O)c(OC)c(cc1)OC

InChI:
InChI=1S/C21H21NO5/c1-24-16-6-5-13-9-15-14-11-18(26-3)17(25-2)10-12(14)7-8-22(15)21(23)19(13)20(16)27-4/h5-6,9-11H,7-8H2,1-4H3

InChIKey:
MZIUUCTTWZPXOV-UHFFFAOYSA-N

DeepSMILES:
COcccCCnc-c6cc%10OC)))))cccc6=O))cOC))ccc6))OC

Functional groups:
c=O, cOC, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2cc2n1CCc1ccccc1-2

Scaffold Graph/Node level:
OC1C2CCCCC2CC2C3CCCCC3CCN12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCCC3CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Isoquinolines and derivatives

ClassyFire Subclass: Isoquinolones and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Protoberberine alkaloids

NP-Likeness score: 0.36

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Chemical structure download