Ajuforrestin A
PubChem CID: 9949159
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| Compound Synonyms | Ajuforrestin A, 157110-18-4, 7,11-dihydroxy-3,4,8,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-6-one, SCHEMBL8418009, AKOS040735684, D85138 |
|---|---|
| Topological Polar Surface Area | 70.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 648.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,11-dihydroxy-3,4,8,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C20H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VGDAVGPDHBMHBW-UHFFFAOYSA-N |
| Fcsp3 | 0.35 |
| Logs | -4.507 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.45 |
| Compound Name | Ajuforrestin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5982312 |
| Inchi | InChI=1S/C20H20O4/c1-9-5-6-20(4)12(11(9)3)7-13(21)15-16(20)18(23)19-14(17(15)22)10(2)8-24-19/h7-8,22-23H,5-6H2,1-4H3 |
| Smiles | CC1=C(C2=CC(=O)C3=C(C2(CC1)C)C(=C4C(=C3O)C(=CO4)C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ajuga Forrestii (Plant) Rel Props:Source_db:cmaup_ingredients