Tanshinone IIA anhydride
PubChem CID: 14609844
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Tanshinone IIA anhydride, CHEMBL4290236, 61077-78-9, BDBM50468028, HY-N10686, DA-78190, CS-0634294, Furo[3,2-c]naphth[2,1-e]oxepin-10,12-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl- |
|---|---|
| Topological Polar Surface Area | 56.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 525.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),4,11(16),17-pentaene-7,9-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT166, NPT204, NPT439 |
| Xlogp | 4.6 |
| Molecular Formula | C19H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AZZOSPOHDDQAFO-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -6.937 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.709 |
| Compound Name | Tanshinone IIA anhydride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.635498582608696 |
| Inchi | InChI=1S/C19H18O4/c1-10-9-22-16-12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(21)23-17(20)14(10)16/h6-7,9H,4-5,8H2,1-3H3 |
| Smiles | CC1=COC2=C1C(=O)OC(=O)C3=C2C=CC4=C3CCCC4(C)C |
| 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