6-Hydroxyluteolin
PubChem CID: 5281642
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| Compound Synonyms | 6-Hydroxyluteolin, 18003-33-3, 5,6,7,3',4'-Pentahydroxyflavone, 6-OH-Luteolin, Demethylpedalitin, 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one, 3',4',5,6,7-Pentahydroxyflavone, UNII-T1XT53489D, NORNEPETIN, NORNEPITIN, CHEBI:2197, T1XT53489D, 6-HYDROXYLUTEOLOL, CHEMBL464107, DTXSID10170900, 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-, 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-4H-chromen-4-one, FLAVONE, 3',4',5,6,7-PENTAHYDROXY-, SCHEMBL1155724, DTXCID5093391, BDBM50412291, LMPK12111229, DA-49221, HY-151231, CS-0610540, E87163, Q23055354, 6-Hydroxyluteolol, 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxychroman-4-one, 2-(3,4-Dihydroxyphenyl)-5,6,7-trihydroxy-4H-1-benzopyran-4-one, 5,6,7,3',4'-Pentahydroxyflavone |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | Occcccc6O)))ccc=O)cco6)cccc6O))O))O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Flavonoids |
| Description | Isolated from Valerianella eriocarpa (Italian corn salad). 6-Hydroxyluteolin is found in many foods, some of which are common thyme, mexican oregano, green vegetables, and lemon verbena. |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 477.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309, P0DMM9, P07943, Q86831 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one |
| Prediction Hob | 0.0 |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.0 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O7 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VYAKIUWQLHRZGK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -3.521 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 0.953 |
| Synonyms | 2-(3,4-Dihydroxyphenyl)-5,6,7-trihydroxy-4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-4H-chromen-4-one, 3',4',5,6,7-Pentahydroxyflavone, 5,6,7,3',4'-Pentahydroxyflavone, 6-Hydroxyluteolin, 6-OH-Luteolin, 2-(3,4-Dihydroxyphenyl)-5,6,7-trihydroxy-4H-chromen-4-one, 3-Hydroxy-8,9-methylenedioxypterocarpane, Inermin, (6ar-cis)-isomer, Inermin, (6as-cis)-isomer, 6a,12a-dihydro-6H-(1,3)dioxolo(5,6)benzofuro(3,2-c)(1)Benzopyran-3-ol, Inermin, 3,4,5,6,7-pentahydroxyflavone, 6-hydroxy-luteolin, 6-hydroxyluteolin, 6-oh-luteolin |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | 6-Hydroxyluteolin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 302.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.923157418181818 |
| Inchi | InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H |
| Smiles | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Flavones |
| Np Classifier Superclass | Flavonoids |
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