Summary

IMPPAT Phytochemical identifier: IMPHY007854

Phytochemical name: Cyclocommunol

Synonymous chemical names:
cyclocommunol

External chemical identifiers:
CID:10315987, ChEMBL:CHEMBL4164003, ChEBI:175506, SureChEMBL:SCHEMBL7694675, MolPort-039-141-868

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Chemical structure information

SMILES:
CC(=CC1Oc2cc(O)ccc2-c2c1c(=O)c1c(o2)cc(cc1O)O)C

InChI:
InChI=1S/C20H16O6/c1-9(2)5-15-18-19(24)17-13(23)6-11(22)8-16(17)26-20(18)12-4-3-10(21)7-14(12)25-15/h3-8,15,21-23H,1-2H3

InChIKey:
VHNPAPHWKVLGHG-UHFFFAOYSA-N

DeepSMILES:
CC=CCOcccO)ccc6-cc%10c=O)cco6)cccc6O)))O)))))))))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3ccccc13)-c1ccccc1OC2

Scaffold Graph/Node level:
OC1C2CCCCC2OC2C3CCCCC3OCC12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCCC3CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Pyranoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.265

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Chemical structure download