Summary

IMPPAT Phytochemical identifier: IMPHY000537

Phytochemical name: Caesalpin P

Synonymous chemical names:
caesalpin p

Chemical structure information

SMILES:
O=C1COc2cc(O)ccc2C(=O)c2c(C1)cc(O)c(c2)O

InChI:
InChI=1S/C16H12O6/c17-9-1-2-11-15(5-9)22-7-10(18)3-8-4-13(19)14(20)6-12(8)16(11)21/h1-2,4-6,17,19-20H,3,7H2

InChIKey:
FJGNEWVNLUZEIN-UHFFFAOYSA-N

DeepSMILES:
O=CCOcccO)ccc6C=O)ccC%13)ccO)cc6)O

Functional groups:
CC(C)=O, cC(c)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1COc2ccccc2C(=O)c2ccccc2C1

Scaffold Graph/Node level:
OC1COC2CCCCC2C(O)C2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C(C)C2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 1.254

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Chemical structure download