Ranupetin
PubChem CID: 5317830
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| Compound Synonyms | Ranupetin, 2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-methoxychromen-4-one, CHEMBL4095311, CHEBI:196354, LMPK12113233, 2-(3,4-dihydroxyphenyl)-3,5 ,8-trihydroxy-7-methoxy-4h-1-benzopyran-4-one, 18799-01-4 |
|---|---|
| Topological Polar Surface Area | 137.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 532.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-methoxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.1 |
| Molecular Formula | C16H12O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UMZXFBIHFDLFCP-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.538 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.229 |
| Compound Name | Ranupetin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.053 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 332.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2441701333333333 |
| Inchi | InChI=1S/C16H12O8/c1-23-10-5-9(19)11-13(21)14(22)15(24-16(11)12(10)20)6-2-3-7(17)8(18)4-6/h2-5,17-20,22H,1H3 |
| Smiles | COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lotus Corniculatus (Plant) Rel Props:Source_db:cmaup_ingredients