(8S)-2-hydroxy-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione
PubChem CID: 102185094
Connections displayed (default: 10).
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| Topological Polar Surface Area | 63.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 563.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8S)-2-hydroxy-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C18H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FLGBNPDGENDJJR-SECBINFHSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.754 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.097 |
| Compound Name | (8S)-2-hydroxy-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 294.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.054860836363636 |
| Inchi | InChI=1S/C18H14O4/c1-8-5-10(19)6-13-11(8)3-4-12-15(13)17(21)18-14(16(12)20)9(2)7-22-18/h3-6,9,19H,7H2,1-2H3/t9-/m1/s1 |
| Smiles | C[C@@H]1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(=CC(=C4)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agathosma Thymifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycine Falcata (Plant) Rel Props:Source_db:cmaup_ingredients