Cannabigerol
PubChem CID: 5315659
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| Compound Synonyms | Cannabigerol, 25654-31-3, 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol, Cannabigerol (CBG), 2808-33-5, CBG, UNII-J1K406072N, CHEBI:69477, J1K406072N, CHEMBL497318, DTXSID701014168, 1,3-Benzenediol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-, (E)-, Resorcinol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-, 1,3-Benzenediol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-, (E)-2-(3,7-Dimethyl-2,6-octadienyl)-5-pentyl-1,3-benzenediol, (E)-2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-resorcinol, (E)-2-(3,7-dimethylocta-2,6-dien-1-yl)-5-pentylbenzene-1,3-diol, 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-pentylbenzene-1,3-diol, RESORCINOL, 2-(3,7-DIMETHYL-2,6-OCTADIENYL)-5-PENTYL-, (E)-, 1,3-BENZENEDIOL, 2-((2E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL)-5-PENTYL-, geranylolivetol, 2-((2E)-3,7-Dimethylocta-2,6-dienyl)-5-pentylbenzene-1,3-diol, 2-((2E)-3,7-dimethylocta-2,6-dien-1-yl)-5-pentylbenzene-1,3-diol, CBG-C5, SCHEMBL144819, SCHEMBL14764730, GTPL11094, DTXCID001436709, BCP23754, EX-A5335, BDBM50318487, AKOS024457386, DB14734, FC42726, FC55149, FS-9666, Cannabigerol (1.0 mg/mL in Methanol), Cannabigerol (CBG), 1mg/ml in Ethanol, DB-250998, NS00017925, Cannabigerol - 20 mg/ml solution in methanol, C20219, Cannabigerol (CBG) 100 microg/mL in Methanol, F70893, Cannabigerol (CBG) 1000 microg/mL in Methanol, Cannabigerol (CBG) 250 microg/mL in Acetonitrile, Q412122, 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentyl-benzene-1,3-diol, 2-[(2E)-3,7-Dimethyl-2,6-octadienyl]-5-pentyl-1,3-benzenediol #, 846-444-6, 875-470-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Cannabinoids |
| Deep Smiles | CCCCCcccO)ccc6)O))C/C=C/CCC=CC)C)))))C |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q6RI86, P21554, P34972, Q8NER1, Q9WUD2, Q8R455, n.a., P97612, Q9Y4D2, Q02083, P37231 |
| Iupac Name | 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Target Id | NPT232, NPT1287, NPT472, NPT99 |
| Xlogp | 7.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H32O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QXACEHWTBCFNSA-SFQUDFHCSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.5238095238095238 |
| Logs | -3.772 |
| Rotatable Bond Count | 9.0 |
| Logd | 5.139 |
| Synonyms | cannabigerol |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C(/C)C, CC=C(C)C, cO |
| Compound Name | Cannabigerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 316.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -6.075850478260868 |
| Inchi | InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+ |
| Smiles | CCCCCC1=CC(=C(C(=C1)O)C/C=C(\C)/CCC=C(C)C)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Polyketides, Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Meroterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all