Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014315

Phytochemical name: Pogopyrone A

Synonymous chemical names:
pogopyrones a, pogopyrone a

External chemical identifiers:
CID:CID_54698096, ZINC:ZINC000105424808

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Chemical structure information

SMILES:
Cc1cc(O)c(c(=O)o1)C(=O)/C=C(/c1ccccc1)\O

InChI:
InChI=1S/C15H12O5/c1-9-7-12(17)14(15(19)20-9)13(18)8-11(16)10-5-3-2-4-6-10/h2-8,16-17H,1H3/b11-8-

InChIKey:
HPYSFAOVSHADSB-FLIBITNWSA-N

DeepSMILES:
CcccO)cc=O)o6))C=O)/C=C/cccccc6))))))\O

Functional groups:
cO, c=O, coc, cC(=O)/C=C(/c)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1cccoc1=O

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCCOC1O

Scaffold Graph level:
CC1CCCCC1C(C)CCC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.403

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Chemical structure download