3-Hydroxycyptotanshinone
PubChem CID: 101493015
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-Hydroxycyptotanshinone |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 602.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C19H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XOUFSOCKCOJUNS-UHFFFAOYSA-N |
| Fcsp3 | 0.4736842105263157 |
| Logs | -4.671 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.904 |
| Compound Name | 3-Hydroxycyptotanshinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.51950647826087 |
| Inchi | InChI=1S/C19H20O4/c1-9-8-23-18-11-4-6-12-10(5-7-13(20)19(12,2)3)15(11)17(22)16(21)14(9)18/h4,6,9,13,20H,5,7-8H2,1-3H3 |
| Smiles | CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)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