6-Hydroxy-1,1,4A-trimethyl-7-(propan-2-YL)-1,2,3,4,4A,9,10,10A-octahydrophenanthren-9-one
PubChem CID: 275529
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| Compound Synonyms | NSC122421, 6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one, 6-HYDROXY-1,1,4A-TRIMETHYL-7-(PROPAN-2-YL)-1,2,3,4,4A,9,10,10A-OCTAHYDROPHENANTHREN-9-ONE, 7-Oxoferruginol, Isomicropinic acid, (+)-Sugiol, 12-Hydroxy-13-isopropyl-Podocarpa-8,11,13-trien-7-one, AKOS032948922, NSC-122421, 12-Hydroxyabieta-8,11,13-trien-7-one #, Podocarpa-8,13-trien-7-one, 12-hydroxy-13-isopropyl-, 9(1H)-Phenanthrenone,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)- |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Description | Constituent of Juniperus communis (juniper). Sugiol is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 453.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 5.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Diterpenoids |
| Molecular Formula | C20H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IPEHJNRNYPOFII-UHFFFAOYSA-N |
| Fcsp3 | 0.65 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | (+)-Sugiol, 12-Hydroxy-13-isopropyl-podocarpa-8,11,13-trien-7-one, 7-Oxoferruginol, Isomicropinic acid, Podocarpa-8,11,13-trien-7-one, 12-hydroxy-13-isopropyl-, Sugiol |
| Compound Name | 6-Hydroxy-1,1,4A-trimethyl-7-(propan-2-YL)-1,2,3,4,4A,9,10,10A-octahydrophenanthren-9-one |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 300.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Esol | -5.379158581818182 |
| Inchi | InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3 |
| Smiles | CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients