Pannorin
PubChem CID: 54692973
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| Compound Synonyms | Pannorin, 137023-81-5, 4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one, DTXSID80160035, 4,8,10-Trihydroxy-5-methyl-2H-naphtho(1,2-b)pyran-2-one, 4,8,10-trihydroxy-5-methyl-2H-benzo[h]chromen-2-one, 2H-Naphtho(1,2-b)pyran-2-one, 4,8,10-trihydroxy-5-methyl-, 4,8,10-trihydroxy-5-methylbenzo(h)chromen-2-one, 4,8,10-Trihydroxy-5-methyl-2H-naphtho[1,2-b]pyran-2-one, SCHEMBL5598002, CHEMBL4576403, DTXCID5082526, CHEBI:221437, NS00075357 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C14H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | URYCWSZWYNTGEX-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.706 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.978 |
| Compound Name | Pannorin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 258.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7359829578947363 |
| Inchi | InChI=1S/C14H10O5/c1-6-2-7-3-8(15)4-9(16)13(7)14-12(6)10(17)5-11(18)19-14/h2-5,15-17H,1H3 |
| Smiles | CC1=CC2=CC(=CC(=C2C3=C1C(=CC(=O)O3)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Gobicus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chamaecyparis Formosensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Solanum Laxum (Plant) Rel Props:Source_db:cmaup_ingredients