Summary

IMPPAT Phytochemical identifier: IMPHY009639

Phytochemical name: Cyclokievitone hydrate

Synonymous chemical names:
cyclokievitone hydrate

External chemical identifiers:
CID:131752226, ChEBI:175781

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)C1COc2c(C1=O)c(O)cc1c2CC(O)C(O1)(C)C

InChI:
InChI=1S/C20H20O7/c1-20(2)16(24)6-11-15(27-20)7-14(23)17-18(25)12(8-26-19(11)17)10-4-3-9(21)5-13(10)22/h3-5,7,12,16,21-24H,6,8H2,1-2H3

InChIKey:
YBSZKJGFDYIZGI-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)O))CCOccC6=O))cO)ccc6CCO)CO6)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccc3c(c2OCC1c1ccccc1)CCCO3

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2C3CCCOC3CCC12

Scaffold Graph level:
CC1C(C2CCCCC2)CCC2C3CCCCC3CCC12

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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, Isoflavones

NP-Likeness score: 2.635

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Chemical structure download