Dihydrooroxylin A
PubChem CID: 5316733
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Dihydrooroxylin A, 5,7-Dihydroxy-6-methoxyflavanone, Dihydrooroxylin, CHEBI:67376, (S)-5,7-Dihydroxy-6-methoxy-2-phenylchroman-4-one, MLS000876753, MEGxp0_000455, (2S)-5,7-dihydroxy-6-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one, CHEMBL1517942, SCHEMBL12067042, ACon1_000257, QUAPPCXFYKSDSV-UHFFFAOYSA-N, HMS2268B15, LMPK12140611, NCGC00180735-01, DA-62885, SMR000440557, BRD-A37403959-001-01-9, Q27135834, 5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-phenyl-, (S)-, NCGC00180735-02!5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Description | Isolated from Prunus avium (wild cherry) and Piper species Dihydrooroxylin is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309, P51151, Q194T2, O15118, Q96QE3, P08659, P27695 |
| Iupac Name | 5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Class | Flavonoids |
| Target Id | NPT537, NPT538 |
| Xlogp | 2.7 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | O-methylated flavonoids |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QUAPPCXFYKSDSV-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.776 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 2.657 |
| Synonyms | 5,7-Dihydroxy-6-methoxyflavanone, Dihydrooroxylin, Dihydrooroxylin A, Dihydrooroxylin a |
| Substituent Name | 6-methoxyflavonoid-skeleton, Hydroxyflavonoid, Flavanone, 7-hydroxyflavonoid, 5-hydroxyflavonoid, Flavan, Chromone, 1-benzopyran, Methoxyphenol, Benzopyran, Chromane, Aryl alkyl ketone, Aryl ketone, Resorcinol, Anisole, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Vinylogous acid, Ketone, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic heteropolycyclic compound |
| Compound Name | Dihydrooroxylin A |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.7013117428571425 |
| Inchi | InChI=1S/C16H14O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-6,8,12,18-19H,7H2,1H3 |
| Smiles | COC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 6-O-methylated flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Pisonia Aculeata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Scutellaria Balcalensis (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Strychnos Afzelii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Strychnos Amazonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Strychnos Dolichothyrsa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all