Summary

IMPPAT Phytochemical identifier: IMPHY012183

Phytochemical name: Diospyrol

Synonymous chemical names:
diospyrol

External chemical identifiers:
CID:28681, FDASRS:GR0O6J59FD, SureChEMBL:SCHEMBL18068457

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Chemical structure information

SMILES:
Cc1cc(O)c2c(c1)ccc(c2O)c1ccc2c(c1O)c(O)cc(c2)C

InChI:
InChI=1S/C22H18O4/c1-11-7-13-3-5-15(21(25)19(13)17(23)9-11)16-6-4-14-8-12(2)10-18(24)20(14)22(16)26/h3-10,23-26H,1-2H3

InChIKey:
ATGBDIJBTXFUFY-UHFFFAOYSA-N

DeepSMILES:
CcccO)ccc6)cccc6O))cccccc6O))cO)ccc6)C

Functional groups:
cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2cc(-c3ccc4ccccc4c3)ccc2c1

Scaffold Graph/Node level:
C1CCC2CC(C3CCC4CCCCC4C3)CCC2C1

Scaffold Graph level:
C1CCC2CC(C3CCC4CCCCC4C3)CCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthols and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Bisnaphthalenes

NP-Likeness score: 0.659

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Chemical structure download