Moretenone
PubChem CID: 604937
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| Compound Synonyms | Moretenone, 1812-63-1, 5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one, Hop-22(29)-en-3-one, (3R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one, Hopenone b, VEVKLOLYYQLRRV-UHFFFAOYSA-N, 21aH-Hop-22(29)-en-3-one, A'-Neogammacer-22(29)-en-3-one, 3-Isopropenyl-5a,5b,8,8,11a,13b-hexamethylicosahydro-9H-cyclopenta[a]chrysen-9-one # |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 31.0 |
| Description | Constituent of Sapium sebiferum (Chinese tallowtree). Moretenone is found in fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 807.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 9.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Hopanoids |
| Molecular Formula | C30H48O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VEVKLOLYYQLRRV-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Logs | -6.546 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 5.502 |
| Synonyms | 21aH-Hop-22(29)-en-3-one, Moretenone, 21AH-HOP-22(29)-en-3-one |
| Compound Name | Moretenone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.371 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 424.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.4300206 |
| Inchi | InChI=1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-24H,1,9-18H2,2-8H3 |
| Smiles | CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Hopanoids |
- 1. Outgoing r'ship
FOUND_INto/from Calicotome Villosa (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Dioscorea Villosa (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Grewia Villosa (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Neolitsea Villosa (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Patrinia Scabiosifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Patrinia Scabra (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Patrinia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Quisqualis Indica (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Sterculia Villosa (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Tephrosia Villosa (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Vicia Villosa (Plant) Rel Props:Reference: