Grandiflorolic acid
PubChem CID: 433554
Connections displayed (default: 10).
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| Compound Synonyms | Grandifloric acid, Gradifloric acid, Grandiflorolic acid, Deacetylxylopic acid, 22338-69-8, 6619-95-0, 15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid, Grandiflorolate, 15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo(11.2.1.0^(1,10).0^(4,9))hexadecane-5-carboxylic acid, CID 102004622, SCHEMBL15942020, DTXSID70944987, GAA61995, XAA33869, NSC332872, 15-Hydroxykaur-16-en-18-oic acid, AKOS032948884, NSC-332872, ent-15alpha-hydroxy-kaur-16-en-19-oic acid, 15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | GVGJRXSJJHLPGZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | Gradifloric acid, Grandifloric acid, Grandiflorolic acid |
| Heavy Atom Count | 23.0 |
| Compound Name | Grandiflorolic acid |
| Description | Constituent of Aralia cordata (udo). Grandiflorolic acid is found in sunflower and green vegetables. |
| Exact Mass | 318.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.219 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 569.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 318.4 |
| Database Name | fooddb_chem_all;npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23) |
| Smiles | CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4O)(C)C(=O)O |
| Xlogp | 3.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H30O3 |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Siegesbeckia Orientalis (Plant) Rel Props:Source_db:npass_chem_all