Tanshinlactone
PubChem CID: 5321617
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Tanshinlactone, 105351-70-0, 6,14-dimethyl-12,16-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-17-one, SCHEMBL3584503, VDYMGLBSIBHGCP-UHFFFAOYSA-, HY-N1180, AKOS032962165, DA-58272, FS-10106, CS-0016471, 6,14-DIMETHYL-12,16-DIOXATETRACYCLO[8.7.0.0(2),?.0(1)(1),(1)?]HEPTADECA-1(10),2(7),3,5,8,11(15),13-HEPTAEN-17-ONE, InChI=1/C17H12O3/c1-9-4-3-5-12-11(9)6-7-13-14(12)17(18)20-15-10(2)8-19-16(13)15/h3-8H,1-2H3 |
|---|---|
| Topological Polar Surface Area | 39.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,14-dimethyl-12,16-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-17-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C17H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VDYMGLBSIBHGCP-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -6.967 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.862 |
| Compound Name | Tanshinlactone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 264.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.999236 |
| Inchi | InChI=1S/C17H12O3/c1-9-4-3-5-12-11(9)6-7-13-14(12)17(18)20-15-10(2)8-19-16(13)15/h3-8H,1-2H3 |
| Smiles | CC1=C2C=CC3=C(C2=CC=C1)C(=O)OC4=C3OC=C4C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Bowleyana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Salvia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients