Summary

IMPPAT Phytochemical identifier: IMPHY003244

Phytochemical name: Cartorimine

Synonymous chemical names:
cartorimine

External chemical identifiers:
CID:3461265, ChEBI:174760

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Chemical structure information

SMILES:
OCC12C=CC(=O)C(O1)C(C2c1ccc(cc1)O)C(=O)O

InChI:
InChI=1S/C15H14O6/c16-7-15-6-5-10(18)13(21-15)11(14(19)20)12(15)8-1-3-9(17)4-2-8/h1-6,11-13,16-17H,7H2,(H,19,20)

InChIKey:
IJGLRFRYPAUECC-UHFFFAOYSA-N

DeepSMILES:
OCCC=CC=O)CO6)CC7cccccc6))O))))))C=O)O

Functional groups:
CC(=O)O, CC=CC(C)=O, CO, COC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2OC1CC2c1ccccc1

Scaffold Graph/Node level:
OC1CCC2OC1CC2C1CCCCC1

Scaffold Graph level:
CC1CCC2CC1CC2C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrans

ClassyFire Subclass: Pyranones and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Neolignans

NP-Likeness score: 1.605

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Chemical structure download