Cowanol
PubChem CID: 10480887
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| Compound Synonyms | cowanol, 1-((2E)-3,7-dimethylocta-2,6-dienyl)-3,6,8-trihydroxy-7-((E)-4-hydroxy-3-methylbut-2-enyl)-2-methoxyxanthen-9-one, 1-((2E)-3,7-dimethylocta-2,6-dienyl)-3,6,8-trihydroxy-7-((Z)-4-hydroxy-3-methylbut-2-enyl)-2-methoxyxanthen-9-one, 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-7-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-methoxyxanthen-9-one, 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-7-[(Z)-4-hydroxy-3-methylbut-2-enyl]-2-methoxyxanthen-9-one, CHEMBL463408, 21044-79-1 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 843.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-7-[(Z)-4-hydroxy-3-methylbut-2-enyl]-2-methoxyxanthen-9-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.9 |
| Molecular Formula | C29H34O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BXFCPUCGPCDZKT-XXGRXQMWSA-N |
| Fcsp3 | 0.3448275862068966 |
| Logs | -2.761 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.336 |
| Compound Name | Cowanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 494.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 494.23 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 494.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -7.274798577777779 |
| Inchi | InChI=1S/C29H34O7/c1-16(2)7-6-8-17(3)9-12-20-25-23(14-22(32)29(20)35-5)36-24-13-21(31)19(11-10-18(4)15-30)27(33)26(24)28(25)34/h7,9-10,13-14,30-33H,6,8,11-12,15H2,1-5H3/b17-9+,18-10- |
| Smiles | CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)C/C=C(/C)\CO)O)O)OC)/C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Cowa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all