(E)-10,11-Dihydro-alpha-atlantone
PubChem CID: 12299866
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| Compound Synonyms | (E)-10,11-Dihydro-alpha-atlantone, (Z)-.alpha.-Atlantone, 10,11-Dihydroatlantone, SCHEMBL3155986, OJEFBZMKKJTKKK-RAXLEYEMSA-N, (Z)-6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one, (5Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,5-dien-4-one, (R,Z)-2-Methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,5-dien-4-one, 2,5-Heptadien-4-one, 2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-, [R-(Z)]-, 2,5-Heptadien-4-one, 2-methyl-6-[(1R)-4-methyl-3-cyclohexen-1-yl]-, (5Z)- |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Description | Found in Ginkgo biloba (ginkgo) |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 352.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,5-dien-4-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 4.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OJEFBZMKKJTKKK-RAXLEYEMSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -4.563 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.548 |
| Synonyms | (Z)-10,11-Dihydro-alpha-atlantone, (Z)-6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one, (e)-10,11-Dihydro-a-atlantone, (e)-10,11-Dihydro-α-atlantone, 10,11-Dihydroatlantone, (Z)-10,11-Dihydro-a-atlantone, (Z)-10,11-Dihydro-α-atlantone |
| Compound Name | (E)-10,11-Dihydro-alpha-atlantone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -4.3662079999999985 |
| Inchi | InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9-10,14H,6-8H2,1-4H3/b13-10- |
| Smiles | CC1=CCC(CC1)/C(=C\C(=O)C=C(C)C)/C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all