Sesquicannabigerol
PubChem CID: 54669855
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| Compound Synonyms | SESQUICANNABIGEROL, CHEMBL1823117, CHEBI:69479, DTXSID701019275, 5-pentyl-2-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol, 5-pentyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,3-diol, DTXCID101477247, BDBM50353094, Q27137817 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 499.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-pentyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT232, NPT1287, NPT472 |
| Xlogp | 9.3 |
| Molecular Formula | C26H40O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WYEFRBILENQYOH-CZHHEZJISA-N |
| Fcsp3 | 0.5384615384615384 |
| Logs | -3.693 |
| Rotatable Bond Count | 12.0 |
| Logd | 5.792 |
| Compound Name | Sesquicannabigerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 384.303 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.303 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 384.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -7.4312162285714285 |
| Inchi | InChI=1S/C26H40O2/c1-6-7-8-15-23-18-25(27)24(26(28)19-23)17-16-22(5)14-10-13-21(4)12-9-11-20(2)3/h11,13,16,18-19,27-28H,6-10,12,14-15,17H2,1-5H3/b21-13+,22-16+ |
| Smiles | CCCCCC1=CC(=C(C(=C1)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients