Summary

IMPPAT Phytochemical identifier: IMPHY004712

Phytochemical name: 5-Deoxykievitol

Synonymous chemical names:
5-deoxykievitol

External chemical identifiers:
CID:44257381, ChEBI:169315

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Chemical structure information

SMILES:
OC/C(=C/Cc1c(O)ccc2c1OCC(C2=O)c1ccc(cc1O)O)/C

InChI:
InChI=1S/C20H20O6/c1-11(9-21)2-4-14-17(23)7-6-15-19(25)16(10-26-20(14)15)13-5-3-12(22)8-18(13)24/h2-3,5-8,16,21-24H,4,9-10H2,1H3/b11-2+

InChIKey:
VPCRIHAWNUNORJ-BIIKFXOESA-N

DeepSMILES:
OC/C=C/CccO)cccc6OCCC6=O))cccccc6O)))O))))))))))))))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2OCC1c1ccccc1

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavanones

NP-Likeness score: 2.374

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Chemical structure download