Monodydroxytanshinone I
PubChem CID: 101493019
Connections displayed (default: 10).
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| Compound Synonyms | Monodydroxytanshinone I |
|---|---|
| Topological Polar Surface Area | 67.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 501.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C18H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BPLLXEHFWRSRLV-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.489 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.376 |
| Compound Name | Monodydroxytanshinone I |
| 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 | -4.260943454545455 |
| Inchi | InChI=1S/C18H12O4/c1-8-7-22-18-12-4-3-10-9(2)13(19)6-5-11(10)15(12)17(21)16(20)14(8)18/h3-7,19H,1-2H3 |
| Smiles | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CC(=C4C)O |
| 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