Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000266

Phytochemical name: Luteolin

Synonymous chemical names:
luteolin, luteoline, 3',4',7,8-tetrahydroxyflavonoid, Luteolin, luteolin glycoside

External chemical identifiers:
CID:CID_5280445, ChEMBL:CHEMBL151, ChEBI:CHEBI:15864, ZINC:ZINC000018185774, FDASRS:KUX1ZNC9J2, SureChEMBL:SCHEMBL20426, MolPort-000-706-683

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O

InChI:
InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H

InChIKey:
IQPNAANSBPBGFQ-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)occc6=O)))cccccc6)O))O

Functional groups:
cO, coc, c=O

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS040402, MSBNK-RIKEN_ReSpect-PS040403, MSBNK-RIKEN_ReSpect-PS040404, MSBNK-RIKEN_ReSpect-PS040407, MSBNK-RIKEN_ReSpect-PS040408, MSBNK-RIKEN_ReSpect-PS040409, MSBNK-RIKEN_ReSpect-PS040410, MSBNK-RIKEN_ReSpect-PS040411, MSBNK-Washington_State_Univ-BML00104, MSBNK-Washington_State_Univ-BML00136, MSBNK-Washington_State_Univ-BML00128, MSBNK-RIKEN_ReSpect-PS040401, MSBNK-Washington_State_Univ-BML00144, MSBNK-Washington_State_Univ-BML00151, MSBNK-Washington_State_Univ-BML81650, MSBNK-Washington_State_Univ-BML81651, MSBNK-Washington_State_Univ-BML81652, MSBNK-Washington_State_Univ-BML81653, MSBNK-Washington_State_Univ-BML00116, MSBNK-RIKEN_ReSpect-PM000420, MSBNK-BGC_Munich-RP004803, MSBNK-RIKEN-PR100643, MSBNK-ACES_SU-AS000803, MSBNK-ACES_SU-AS001574, MSBNK-BGC_Munich-RP004801, MSBNK-BGC_Munich-RP004802, MSBNK-RIKEN-PR100644, MSBNK-BS-BS003099, MSBNK-IPB_Halle-PB000741, MSBNK-IPB_Halle-PB000742, MSBNK-IPB_Halle-PB000743, MSBNK-BS-BS003098, MSBNK-IPB_Halle-PN000112, MSBNK-IPB_Halle-PB000744, MSBNK-RIKEN-PR100230, MSBNK-RIKEN-PR040036, MSBNK-RIKEN-PR040035, MSBNK-RIKEN-PR100231, MSBNK-RIKEN-PR020016, MSBNK-IPB_Halle-PN000113, MSBNK-RIKEN-PR040034

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.499

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Chemical structure download