Summary

IMPPAT Phytochemical identifier: IMPHY002048

Phytochemical name: 7,2',4'-Trihydroxy-8-lavandulyl-5-methoxyflavanone

Synonymous chemical names:
kurarinone

External chemical identifiers:
CID:11982640, ChEBI:66150, ZINC:ZINC000014711629, SureChEMBL:SCHEMBL563362, MolPort-039-339-013

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Chemical structure information

SMILES:
COc1cc(O)c(c2c1C(=O)C[C@H](O2)c1ccc(cc1O)O)C[C@H](C(=C)C)CC=C(C)C

InChI:
InChI=1S/C26H30O6/c1-14(2)6-7-16(15(3)4)10-19-21(29)12-24(31-5)25-22(30)13-23(32-26(19)25)18-9-8-17(27)11-20(18)28/h6,8-9,11-12,16,23,27-29H,3,7,10,13H2,1-2,4-5H3/t16-,23+/m1/s1

InChIKey:
LTTQKYMNTNISSZ-MWTRTKDXSA-N

DeepSMILES:
COcccO)ccc6C=O)C[C@H]O6)cccccc6O)))O))))))))))C[C@H]C=C)C))CC=CC)C

Functional groups:
C=C(C)C, CC=C(C)C, 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: Flavanones

NP-Likeness score: 2.554

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Chemical structure download