Odoriflavene
PubChem CID: 11779541
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| Compound Synonyms | Odoriflavene, 101153-41-7, 3-(2-hydroxy-3,4-dimethoxyphenyl)-2H-chromen-7-ol, 7,2'-Dihydroxy-3',4'-dimethoxyisoflav-3-ene, BEA15341, HY-N7969, LMPK12080069, AKOS040760604, FS-7212, DA-76388, CS-0138901, E88834 |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 410.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2-hydroxy-3,4-dimethoxyphenyl)-2H-chromen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SZZKTMJLZNFNGL-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -3.764 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.176 |
| Compound Name | Odoriflavene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.583358363636364 |
| Inchi | InChI=1S/C17H16O5/c1-20-14-6-5-13(16(19)17(14)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-8,18-19H,9H2,1-2H3 |
| Smiles | COC1=C(C(=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients