Dihydrokawain
PubChem CID: 10220256
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Dihydrokavain, Dihydrokawain, 587-63-3, Kavain, dihydro-, Kawain, dihydro-, Marindinin, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethyl)-, (6S)-, 7,8-Dihydrokawain, NW8ZGW9XRZ, UNII-NW8ZGW9XRZ, (+)-Dihydrokavain, CCRIS 9371, 7,8-Dihydro-kawain, NSC 112163, NSC-112163, (S)-4-methoxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one, (2S)-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one, DTXSID8033433, (S)-(+)-DIHYDROKAWAIN, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-phenethyl-, (+)-(S)-Dihydrokavain, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethyl)-, (S)-, (S)-(+)-7,8-Dihydrokavain, (6S)-5,6-Dihydro-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one, 7,8-Dihydrokawain, 7,8-Dihydrokavain, Marindinin, MFCD01694032, Dihydrokavain (Standard), DIHYDROKAWAIN [MI], CHEMBL569329, MEGxp0_001719, SCHEMBL5672433, ACon0_000958, ACon1_000519, HY-N0920R, CHEBI:157713, DTXCID501476403, HMS3887C05, HY-N0920, Tox21_201033, NSC112163, s9446, AKOS028109012, CCG-266804, CS-4244, FD76571, NCGC00169002-01, NCGC00169002-05, NCGC00258586-01, AC-34187, CAS-587-63-3, DA-52550, MS-23329, NS00097256, (S)-(+)-7,8-Dihydrokavain, analytical standard, 2H-Pyran-2-one,6-dihydro-4-methoxy-6-phenethyl-, BRD-K31961554-001-01-9, Q27285076, 4-Methoxy-6-phenethyl-5,6-dihydropyran-2-one, Marindinin, 2H-Pyran-2-one,6-dihydro-4-methoxy-6-(2-phenylethyl)-, (S)- |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C14H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VOOYTQRREPYRIW-LBPRGKRZSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.287 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.314 |
| Compound Name | Dihydrokawain |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 232.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 232.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.009806270588235 |
| Inchi | InChI=1S/C14H16O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t12-/m0/s1 |
| Smiles | COC1=CC(=O)O[C@H](C1)CCC2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Methysticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all