Phenanthro[3,2-b]furan-7,11-dione, 8,9-dihydro-4,8-dimethyl-
PubChem CID: 89406
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| Compound Synonyms | 20958-18-3, Dihydroisotanshinone I, Phenanthro[3,2-b]furan-7,11-dione, 8,9-dihydro-4,8-dimethyl-, 4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione, 4,8-Dimethyl-8,9-dihydrophenanthro[3,2-b]furan-7,11-dione, Phenanthro(3,2-b)furan-7,11-dione, 8,9-dihydro-4,8-dimethyl-, SCHEMBL13568194, DTXSID60943247, KXNYCALHDXGJSF-UHFFFAOYSA-N, HY-B1919, AKOS028109839, CS-6505, FS-6927, AC-35146, PD078596, DB-050318, A12259, 4,8-dimethyl-8H,9H-phenanthro[3,2-b]furan-7,11-dione, 4,8-dimethyl-7H,8H,9H,11H-phenanthro[3,2-b]furan-7,11-dione, 4,8-Dimethyl-8,9-dihydrophenanthro[3,2-b]furan-7,11-dione # |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 533.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C18H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KXNYCALHDXGJSF-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.343 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.677 |
| Compound Name | Phenanthro[3,2-b]furan-7,11-dione, 8,9-dihydro-4,8-dimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 278.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.198484352380952 |
| Inchi | InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)18-14(16(13)19)10(2)8-21-18/h3-7,10H,8H2,1-2H3 |
| Smiles | CC1COC2=C1C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C |
| 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