Summary

IMPPAT Phytochemical identifier: IMPHY001015

Phytochemical name: (-)-8-Oxotetrahydropalmatine

Synonymous chemical names:
(-)-8-oxotetrahydropalmatine, (-)8-oxotetrahydropalmatine, 8-oxotetrahydropalmatine

External chemical identifiers:
CID:49769861

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Chemical structure information

SMILES:
Oc1cc2CCN3C(c2cc1O)Cc1c(C3=O)c(O)c(cc1)O

InChI:
InChI=1S/C17H15NO5/c19-12-2-1-9-5-11-10-7-14(21)13(20)6-8(10)3-4-18(11)17(23)15(9)16(12)22/h1-2,6-7,11,19-22H,3-5H2

InChIKey:
WEDCJRJAWKSVRD-UHFFFAOYSA-N

DeepSMILES:
OcccCCNCc6cc%10O))))CccC6=O))cO)ccc6))O

Functional groups:
cC(=O)N(C)C, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2CC2c3ccccc3CCN12

Scaffold Graph/Node level:
OC1C2CCCCC2CC2C3CCCCC3CCN12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCCC3CCC12

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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

NP-Likeness score: 1.361

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Chemical structure download