Carnosicacid
PubChem CID: 5024746
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| Compound Synonyms | Carnosicacid, Carnosic acid (Synthetic), SCHEMBL18290359, DTXSID60863239, BDBM588210, BCP03689, AKOS037645040, US11542254, Example canosic acid, 5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid, AS-56362, DB-048967, 11,12-dihydroxyabieta-8(14),9(11),12-trien-20-oic acid |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Description | Isolated from Salvia officinalis (sage) and Rosamarinus officinalis (rosemary). Carnosic acid is found in many foods, some of which are ginger, nutmeg, star anise, and caraway. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 500.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C20H28O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QRYRORQUOLYVBU-UHFFFAOYSA-N |
| Fcsp3 | 0.65 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 11,12-Dihydroxy-8,11,13-abietatrien-20-oic acid, 2,4(1H,3H)-Pyrimidinedione, 5-fluorodihydro-6-hydroxy-, 4a(2H)-Phenanthrenecarboxylic acid, Carnosic acid, Deoxypicrosalvinic acid, RoseOx, Salvin, Salvin? |
| Compound Name | Carnosicacid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 332.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 332.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.034828 |
| Inchi | InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24) |
| Smiles | CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all