(4S,5S)-(+)-Germacrone 4,5-epoxide
PubChem CID: 13922653
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (4S,5S)-(+)-Germacrone 4,5-epoxide, (1S,6Z,10S)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-4-one, (+)-Germacrone-4,5-epoxide, 92691-35-5, (1S,6Z,10S)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo(8.1.0)undec-6-en-4-one, CHEBI:81127, C17489, Q27155085 |
|---|---|
| Topological Polar Surface Area | 29.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 399.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,6Z,10S)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DWGVRYKQVZGSIB-ZRDDCUNGSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.409 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.563 |
| Compound Name | (4S,5S)-(+)-Germacrone 4,5-epoxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.0317017999999996 |
| Inchi | InChI=1S/C15H22O2/c1-10(2)12-9-14-15(4,17-14)7-5-6-11(3)8-13(12)16/h6,14H,5,7-9H2,1-4H3/b11-6-/t14-,15-/m0/s1 |
| Smiles | C/C/1=C/CC[C@]2([C@@H](O2)CC(=C(C)C)C(=O)C1)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients