7-Hydroxy-3,4-benzocoumarin
PubChem CID: 5380406
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| Compound Synonyms | urolithin B, 1139-83-9, 3-hydroxy-6H-benzo[c]chromen-6-one, 3-hydroxybenzo[c]chromen-6-one, 3-Hydroxyurolithin, 7-hydroxy-3,4-benzocoumarin, 3-HYDROXY-6H-DIBENZO[B,D]PYRAN-6-ONE, 6H-Dibenzo[b,d]pyran-6-one, 3-hydroxy-, B1S2YM5F6G, MFCD00034338, 3-hydroxy-urolithin, 6H-Dibenzo(b,d)pyran-6-one, 3-hydroxy-, NSC 94726, NSC-94726, CHEMBL1526978, 3-Hydroxy-benzo[c]chromen-6-one, DTXSID00150610, 3-HYDROXYDIBENZO-.ALPHA.-PYRONE, 3-HYDROXY-6H-BENZO(C)CHROMEN-6-ONE, 3-HYDROXY-6H-DIBENZO(B,D)PYRAN-6-ONE, 2-BIPHENYLCARBOXYLIC ACID, 2',4'-DIHYDROXY-, .DELTA.-LACTONE, SMR000125059, urolithinB, Urolithin B?, NSC94726, 3-Hydroxydibenzo-a-pyrone, UNII-B1S2YM5F6G, NCIOpen2_005982, Oprea1_202205, Oprea1_232259, CBDivE_012154, MLS000067644, MLS001049038, SCHEMBL4420540, DTXCID1073101, CHEBI:166606, WXUQMTRHPNOXBV-UHFFFAOYSA-N, HMS2172E20, HMS3319J06, NP755, Urolithin B, >=95% (HPLC), ALBB-015663, 3-HYDROXYDIBENZO-ALPHA-PYRONE, BBL027918, BDBM50521706, NSC823879, s1321, STK086550, AKOS000274161, DS-9071, NSC-823879, NCGC00245498-01, NCGC00245498-02, AC-34553, SY232456, DB-122720, HY-126307, CS-0101847, C22596, EN300-186402, 3-Hydroxy-6H-benzo[c]chromen-6-one, AldrichCPR, AE-473/30364012, Q18395107, Z57108866, 2-BIPHENYLCARBOXYLIC ACID, 2',4'-DIHYDROXY-, DELTA-LACTONE, 808-493-1 |
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| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Description | A polyphenol metabolite detected in biological fluids [PhenolExplorer] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309, Q15596, P97697, Q194T2, P00811, Q6W5P4, Q9Y6Q9, Q9HBX9, P03070, Q96KQ7, Q9UIF8, Q96QE3, Q15788, O95149, Q9Y253, P80244, Q99700, P43220, P63092, Q13148, Q9NR56, Q10471 |
| Iupac Name | 3-hydroxybenzo[c]chromen-6-one |
| Prediction Hob | 1.0 |
| Class | Coumarins and derivatives |
| Target Id | NPT1416, NPT2944 |
| Xlogp | 2.7 |
| Superclass | Phenylpropanoids and polyketides |
| Molecular Formula | C13H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WXUQMTRHPNOXBV-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.386 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 2.889 |
| Synonyms | 3-hydroxy-6H-benzo[c]chromen-6-one, 3-hydroxy-urolithin |
| Compound Name | 7-Hydroxy-3,4-benzocoumarin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 212.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 212.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.7876648 |
| Inchi | InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H |
| Smiles | C1=CC=C2C(=C1)C3=C(C=C(C=C3)O)OC2=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Coumarins and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Carapa Granatum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Xylocarpus Granatum (Plant) Rel Props:Reference: