Summary

IMPPAT Phytochemical identifier: IMPHY003355

Phytochemical name: Cedeodarin

Synonymous chemical names:
cedeodarin, cedeodarin(6-methyl taxifoline

External chemical identifiers:
CID:182026, ChEMBL:CHEMBL4471098, ZINC:ZINC000140867960, SureChEMBL:SCHEMBL17157085, MolPort-039-141-838

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Chemical structure information

SMILES:
Oc1ccc(cc1O)[C@H]1Oc2cc(O)c(c(c2C(=O)[C@@H]1O)O)C

InChI:
InChI=1S/C16H14O7/c1-6-9(18)5-11-12(13(6)20)14(21)15(22)16(23-11)7-2-3-8(17)10(19)4-7/h2-5,15-20,22H,1H3/t15-,16+/m0/s1

InChIKey:
KPCWWZLBHGSXPW-JKSUJKDBSA-N

DeepSMILES:
Occcccc6O)))[C@H]OcccO)ccc6C=O)[C@@H]%10O))))O))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Dihydroflavonols

NP-Likeness score: 2.337

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Chemical structure download