Summary

IMPPAT Phytochemical identifier: IMPHY012662

Phytochemical name: Dihydropalmatine

Synonymous chemical names:
dihydropalmatine

External chemical identifiers:
CID:1023495, ZINC:ZINC000000689644, SureChEMBL:SCHEMBL12329651, MolPort-003-804-037

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Chemical structure information

SMILES:
COc1cc2CCN3C(=Cc4c(C3)c(OC)c(cc4)OC)c2cc1OC

InChI:
InChI=1S/C21H23NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-11H,7-8,12H2,1-4H3

InChIKey:
PTPHDVKWAYIFRX-UHFFFAOYSA-N

DeepSMILES:
COcccCCNC=CccC6)cOC))ccc6))OC)))))))c6cc%10OC

Functional groups:
cC=C(c)N(C)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2c3ccccc3CCN2Cc2ccccc21

Scaffold Graph/Node level:
C1CCC2CN3CCC4CCCCC4C3CC2C1

Scaffold Graph level:
C1CCC2CC3C(CCC4CCCCC43)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Protoberberine alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Protoberberine alkaloids

NP-Likeness score: 0.666

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Chemical structure download