(3R)-Sativanone
PubChem CID: 5321142
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (3R)-SATIVANONE, 4H-1-Benzopyran-4-one, 3-(2,4-dimethoxyphenyl)-2,3-dihydro-7-hydroxy-, (3R)-, CHEMBL2397752, DTXSID301318415, (3R)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one, AKOS040734483 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 399.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (3R)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JOVYBWHPTQRVNZ-AWEZNQCLSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -4.13 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.821 |
| Compound Name | (3R)-Sativanone |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.583358363636364 |
| Inchi | InChI=1S/C17H16O5/c1-20-11-4-6-12(15(8-11)21-2)14-9-22-16-7-10(18)3-5-13(16)17(14)19/h3-8,14,18H,9H2,1-2H3/t14-/m0/s1 |
| Smiles | COC1=CC(=C(C=C1)[C@@H]2COC3=C(C2=O)C=CC(=C3)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;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pongamia Pinnata (Plant) Rel Props:Source_db:npass_chem_all