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CHEBI:3359 - cannabidiolic acid
| Formula | C22H30O4 |
| Net Charge | 0 |
| Average Mass | 358.478 |
| Monoisotopic Mass | 358.21441 |
| SMILES | [H][C@@]1(c2c(O)cc(CCCCC)c(C(=O)O)c2O)C=C(C)CC[C@H]1C(=C)C |
| InChI | InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1 |
| InChIKey | WVOLTBSCXRRQFR-DLBZAZTESA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. cannabinoid receptor agonist An agonist that binds to and activates cannabinoid receptors. cannabinoid receptor agonist An agonist that binds to and activates cannabinoid receptors. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cannabidiolic acid (CHEBI:3359) has functional parent olivetolic acid (CHEBI:66955) |
| cannabidiolic acid (CHEBI:3359) is a dihydroxybenzoic acid (CHEBI:23778) |
| cannabidiolic acid (CHEBI:3359) is a phytocannabinoid (CHEBI:67196) |
| cannabidiolic acid (CHEBI:3359) is a polyketide (CHEBI:26188) |
| cannabidiolic acid (CHEBI:3359) is a resorcinols (CHEBI:33572) |
| cannabidiolic acid (CHEBI:3359) is conjugate acid of cannabidiolate (CHEBI:67136) |
| Incoming Relation(s) |
| cannabidiolate (CHEBI:67136) is conjugate base of cannabidiolic acid (CHEBI:3359) |
| IUPAC Name |
|---|
| 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoic acid |
| Synonyms | Source |
|---|---|
| 3-p-Mentha-1,8-dien-3-yl-6-pentyl-beta-resorcylic acid | ChemIDplus |
| Cannabidiolic acid | KEGG COMPOUND |
| CBDA | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C00002642 | KNApSAcK |
| C10784 | KEGG COMPOUND |
| Cannabidiolic_acid | Wikipedia |
| CPD-7170 | MetaCyc |
| DB19261 | DrugBank |
| HMDB0249587 | HMDB |
| LMPK13120003 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2226330 | Reaxys |
| CAS:1244-58-2 | KEGG COMPOUND |
| Citations |
|---|