Tanshinol A
PubChem CID: 5321622
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| Compound Synonyms | Tanshinol A, 6-(Hydroxymethyl)-1-methylphenanthro[1,2-b]furan-10,11-dione, 189290-28-6 |
|---|---|
| Topological Polar Surface Area | 67.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 487.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C18H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RVBZKTGBLGUYDC-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -5.28 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.657 |
| Compound Name | Tanshinol A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 292.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6279434545454543 |
| Inchi | InChI=1S/C18H12O4/c1-9-8-22-18-13-6-5-11-10(7-19)3-2-4-12(11)15(13)17(21)16(20)14(9)18/h2-6,8,19H,7H2,1H3 |
| Smiles | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)CO |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients