5,6,7,8,4'-Pentahydroxyflavone
PubChem CID: 96506
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| Compound Synonyms | Nortangeretin, 5,6,7,8,4'-Pentahydroxyflavone, 577-26-4, MLS000736839, 4H-1-Benzopyran-4-one, 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-, LMG443BS12, CHEBI:79553, NSC-76988, 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one, SMR000528344, 2-(4-Hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one, 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, NSC 76988, DEMETHYLPONKANETIN, UNII-LMG443BS12, cid_96506, CHEMBL234338, SCHEMBL14053704, SCHEMBL21857630, BDBM61867, DTXSID60206400, HMS2270F11, 4',5,6,7,8-pentahydroxyflavone, NSC76988, NCGC00246874-01, FLAVONE, 4',5,6,7,8-PENTAHYDROXY-, 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromone, Q27148666, 5,7,8-Tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, 2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chromen-4-one, 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one, 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 469.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42713, P46063, B2RXH2, P04406, Q03164, P27695, Q9NUW8, Q07817, P10636, P14618, Q962Y6, Q9F4F7, Q07820, P00883, O97447, Q9Y468, P10253, P54132, P06746, O75164, Q16236, P10696, P09923, Q96KQ7, P05186, Q9UIF8, P24822, O89049, P83916, P39748, Q9UNA4, Q9Y253, P29990, Q9UBT6, P07378, O75874, O94925, Q14191, Q13526, Q4GZG4, P02769, P23467, Q16875, O94782, Q9NR56, O95398, P04608 |
| Iupac Name | 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Target Id | NPT47, NPT48, NPT1224, NPT1038, NPT49, NPT50, NPT51, NPT52, NPT57, NPT864, NPT60, NPT58, NPT59, NPT798, NPT801, NPT802, NPT4407 |
| Xlogp | 2.0 |
| Molecular Formula | C15H10O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SPZXXUUDYMHBSG-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.487 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.874 |
| Compound Name | 5,6,7,8,4'-Pentahydroxyflavone |
| 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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.923157418181818 |
| Inchi | InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H |
| Smiles | C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)O)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Marrubium Cylleneum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all