Norartocarpetin
PubChem CID: 5481970
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| Compound Synonyms | Norartocarpetin, 520-30-9, 2-(2,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one, L2Y5RSY4BM, CHEMBL463145, 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-, 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, 2-(2,4-Dihydroxy-phenyl)-5,7-dihydroxy-1-benzopyran-4-one, 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Norartocarpetin, 5, UNII-L2Y5RSY4BM, SCHEMBL1546435, 5,7,2',4'-tetrahydroxyflavone, DTXSID00199963, 2',4',5,7-Tetrahydroxyflavone, CHEBI:174716, BDBM50269559, HY-N10503, LMPK12110941, AKOS015906501, MS-24075, CS-0608332, 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one, Q15425765, 2-(2,4-BIS(OXIDANYL)PHENYL)-5,7-BIS(OXIDANYL)CHROMEN-4-ONE, 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | Occcccc6)O))ccc=O)cco6)cccc6O)))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Flavonoids |
| Description | Constituent of the heartwood of Artocarpus heterophyllus (jackfruit). Norartocarpetin is found in jackfruit and fruits. |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P23219, P35354, P56817, O42713, P00591, P14679, A0A045ISB3, Q05209, Q9Y2R2, P18031, P9WIA1, P06760 |
| Iupac Name | 2-(2,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT30, NPT740, NPT741, NPT3997, NPT178 |
| Xlogp | 1.4 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O6 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZSYPIPFQOQGYHH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -3.583 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 2.478 |
| Synonyms | 2-(2,4-Dihydroxy-phenyl)-5,7-dihydroxy-1-benzopyran-4-one, 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI, 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Norartocarpetin, 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, 9ci, 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, nartocarpetin (5,7,2',4'-tetrahydroxyflavone), noartocarpetin, norartocarpetin |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | Norartocarpetin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 286.24 |
| 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 | -3.0700913238095238 |
| Inchi | InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H |
| Smiles | C1=CC(=C(C=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)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 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Altilis (Plant) Rel Props:Reference:ISBN:9788172360481 - 2. Outgoing r'ship
FOUND_INto/from Artocarpus Dadah (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Canthium Berberidifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cudrania Tricuspidata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Morus Bombycis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all