Summary

IMPPAT Phytochemical identifier: IMPHY001922

Phytochemical name: Filiformine

Synonymous chemical names:
filiformine

External chemical identifiers:
CID:11792226

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Chemical structure information

SMILES:
COc1cc2C(=O)c3nccc4c3c(-c2cc1O)c1OCOc1c4OC

InChI:
InChI=1S/C19H13NO6/c1-23-12-6-10-9(5-11(12)21)14-13-8(3-4-20-15(13)16(10)22)17(24-2)19-18(14)25-7-26-19/h3-6,21H,7H2,1-2H3

InChIKey:
WGGQEHHBHHHIFF-UHFFFAOYSA-N

DeepSMILES:
COcccC=O)cncccc6c-c%10cc%14O))))cOCOc5c9OC

Functional groups:
c1cOCO1, cC(c)=O, cO, cOC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2-c2c3c(cc4ccnc1c24)OCO3

Scaffold Graph/Node level:
OC1C2CCCCC2C2C3OCOC3CC3CCNC1C32

Scaffold Graph level:
CC1C2CCCCC2C2C3CCCC3CC3CCCC1C32

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 1.633

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Chemical structure download