(-)-Sativan
PubChem CID: 170570
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| Compound Synonyms | (-)-Sativan, Sativin, 41743-86-6, Sativin (alfalfa), (3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol, (3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol, CHEBI:115, DTXSID80194577, 2-hydroxy-2',4'-dimethoxyisoflavan, (R)-3-(2,4-dimethoxyphenyl)chroman-7-ol, 2H-1-Benzopyran-7-ol, 3-(2,4-dimethoxyphenyl)-3,4-dihydro-, (3R)-, (R)-Sativan, Sativan, (R)-, NAZ6L3EV54, DTXCID20117068, LMPK12080025, AKOS040762684, FS45942, Q27105244 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | TUXCLJQCYVCGDW-LBPRGKRZSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.177 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.349 |
| Compound Name | (-)-Sativan |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.893884542857143 |
| Inchi | InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1 |
| Smiles | COC1=CC(=C(C=C1)[C@H]2CC3=C(C=C(C=C3)O)OC2)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Baphia Nitida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sophora Moorcroftiana (Plant) Rel Props:Source_db:cmaup_ingredients