Przewaquinone B
PubChem CID: 622085
Connections displayed (default: 10).
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| Compound Synonyms | Przewaquinone B, 76829-01-1, 1-(Hydroxymethyl)-6-methylphenanthro[1,2-b]furan-10,11-dione, Przewaquinone B, CHEMBL4070130, SCHEMBL16152288, CETREAVXUDHZGK-UHFFFAOYSA-N, AO-088/21192007, 1-(Hydroxymethyl)-6-methylphenanthro[1,2-b]furan-10,11-dione # |
|---|---|
| Topological Polar Surface Area | 67.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 487.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(hydroxymethyl)-6-methylnaphtho[1,2-g][1]benzofuran-10,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C18H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CETREAVXUDHZGK-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -5.27 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.691 |
| Compound Name | Przewaquinone B |
| 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 | -3.6279434545454543 |
| Inchi | InChI=1S/C18H12O4/c1-9-3-2-4-12-11(9)5-6-13-15(12)17(21)16(20)14-10(7-19)8-22-18(13)14/h2-6,8,19H,7H2,1H3 |
| Smiles | CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4CO |
| 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 Bulleyana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Salvia Castanea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Salvia Digitaloides (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Salvia Flava (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Salvia Prionitis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Salvia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Salvia Sinica (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Salvia Trijuga (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Salvia Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients