Poriol
PubChem CID: 301798
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| Compound Synonyms | Poriol, 14348-16-4, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydrochromen-4-one, NSC180246, NSC-180246, (2S)-4',5,7-Trihydroxy-6-methylflavanone, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methylchroman-4-one, MLS000876957, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydro-4H-chromen-4-one, 70460-58-1, SMR000440646, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-chroman-4-one, 6-methylnaringenin, NSC 180246, starbld0008797, CHEMBL484640, cid_301798, MEGxp0_000360, ACon1_000765, BDBM50571, CHEBI:178319, DTXSID001029318, HMS2269A20, PAA34816, LMPK12140301, NCGC00169381-01, DA-66829, G69311, Q3398182, BRD-A47074844-001-01-5, 2-(4-hydroxyphenyl)-6-methyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P46063, P27695, Q02410, P02791, Q03164, Q9Y468, Q07820, P06746, O75164, Q9UIF8, P11473, O95149, P39748, Q9UNA4, Q9GZU7, Q9Y253, Q9UBT6, P63092, Q13526, Q9NR56, P04608 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT47, NPT49, NPT864, NPT57, NPT59, NPT3938 |
| Xlogp | 2.8 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SLFZBNOERHGNMI-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.597 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.461 |
| Compound Name | Poriol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7862117428571427 |
| Inchi | InChI=1S/C16H14O5/c1-8-11(18)6-14-15(16(8)20)12(19)7-13(21-14)9-2-4-10(17)5-3-9/h2-6,13,17-18,20H,7H2,1H3 |
| Smiles | CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all