Summary

IMPPAT Phytochemical identifier: IMPHY008019

Phytochemical name: Hyperxanthone

Synonymous chemical names:
hyperxanthone

External chemical identifiers:
CID:14757909, ZINC:ZINC000014514242

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Chemical structure information

SMILES:
Oc1ccc2c(c1)oc1c(c2=O)c2C=CC(Oc2c(c1)O)(C)C

InChI:
InChI=1S/C18H14O5/c1-18(2)6-5-11-15-14(8-12(20)17(11)23-18)22-13-7-9(19)3-4-10(13)16(15)21/h3-8,19-20H,1-2H3

InChIKey:
GQAYMLKLFVVQQH-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occc6=O))cC=CCOc6cc%10)O))))C)C

Functional groups:
c=O, cC=CC, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccc3c(c12)C=CCO3

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCC3OCCCC3C21

Scaffold Graph level:
CC1C2CCCCC2CC2CCC3CCCCC3C21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 2.334

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Chemical structure download