Hernandulcin
PubChem CID: 125608
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Hernandulcin, 95602-94-1, (6S)-6-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one, 7V22TJL7NX, 2-Cyclohexen-1-one, 6-[(1S)-1-hydroxy-1,5-dimethyl-4-hexen-1-yl]-3-methyl-, (6S)-, UNII-7V22TJL7NX, (6S)-6-((2S)-2-HYDROXY-6-METHYLHEPT-5-EN-2-YL)-3-METHYLCYCLOHEX-2-EN-1-ONE, (S-(R*,R*))-6-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-3-methyl-2-cyclohexen-1-one, SCHEMBL110562, CHEBI:5678, DTXSID30905099, EX-A6121, 2-Cyclohexen-1-one, 6-(1-hydroxy-1,5-dimethyl-4-hexenyl)-3-methyl-, (S-(R*,R*))-, C09681, Q418686, (S)-6-((S)-2-Hydroxy-6-methylhept-5-en-2-yl)-3-methylcyclohex-2-en-1-one |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | HYQNKKAJVPMBDR-HIFRSBDPSA-N |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 17.0 |
| Compound Name | Hernandulcin |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6S)-6-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H24O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)10-14(13)16/h6,10,13,17H,5,7-9H2,1-4H3/t13-,15+/m1/s1 |
| Smiles | CC1=CC(=O)[C@@H](CC1)[C@](C)(CCC=C(C)C)O |
| Xlogp | 3.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H24O2 |
- 1. Outgoing r'ship
FOUND_INto/from Eleocharis Dulcis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Garcinia Dulcis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Hovenia Dulcis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Lippia Dulcis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Phyla Nodiflora (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Prunus Dulcis (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Scoparia Dulcis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Spondias Dulcis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Uvaria Dulcis (Plant) Rel Props:Reference: