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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
24
Total Number of Articles : 20
|
| PubChem |
160570
|
| Molecular Formula |
C22H30O4 |
| SMILES |
CCCCCC1=CC(=C(C(=C1C(=O)O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O |
| 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 |
| synonyms |
- Cannabidiolic acid
- 1244-58-2
- CBDA
- Cannabidiol Acid
- FJX8O3OJCD
- UNII-FJX8O3OJCD
- CHEBI:3359
- 3-p-Mentha-1,8-dien-3-yl-6-pentyl-beta-resorcylic acid
- 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid
- CHEMBL498672
- CANNABIDIOLCARBOXYLIC ACID
- DTXSID80154318
- Cannabidiolic acid (CBDA)
- 2,4-dihydroxy-3-[(1r,6r)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoic acid
- CANNABIDIOLIC ACID (NFLIS-DRUG)
- CANNABIDIOLIC ACID [NFLIS-DRUG]
- BENZOIC ACID, 2,4-DIHYDROXY-3-((1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-6-PENTYL-
- Benzoic acid, 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-pentyl-
- 2,4-dihydroxy-3-((1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl)-6-pentylbenzoic acid
- SCHEMBL141666
- DTXCID8076809
- GTPL10600
- BDBM50318485
- LMPK13120003
- FS-10258
- Cannabidiolic acid (CBDA), 1mg/ml in Acetonitrile
- Q27106043
- Cannabidiolic acid (CBDA) 250 microg/mL in Acetonitrile
- Cannabidiolic acid (CBDA) 100 microg/mL in Acetonitrile
- Cannabidiolic acid (CBDA) 1000 microg/mL in Acetonitrile
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| Properties |
| Property |
Value |
| MW |
358.5 g/mol |
| HBD |
3 |
| HBA |
4 |
| Rotatable Bond Count |
7 |
| Exact Mass |
358.21440943 g/mol |
| Monoisotopic Mass |
358.21440943 g/mol |
| Heavy Atom Count |
26 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
2 |
| Covalent Unit Count |
1 |
| Complexity |
538 |
| xlogp |
6.6 |
| Topological Polar Surface Area |
77.8 |
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