5-Trideca-4,7-dienyl-benzene-1,3-diol
PubChem CID: 643751
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| Compound Synonyms | 5-Trideca-4,7-dienyl-benzene-1,3-diol, CHEMBL2147166, 5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol, (Z,Z)-5-(Trideca-4,7-dienyl)resorcinol, SCHEMBL21824306, BDBM50485662, (z,z)-5-(trideca-4',7'-dienyl)-resorcinol, 1,3-benzenediol, 5-[(4Z,7Z)-4,7-tridecadienyl]-, 5-[(4Z,7Z)-trideca-4,7-dien-1-yl]benzene-1,3-diol, InChI=1/C19H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h6-7,9-10,14-16,20-21H,2-5,8,11-13H2,1H3/b7-6-,10-9 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42713 |
| Iupac Name | 5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C19H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DWGFCVWXMWMPHS-HZJYTTRNSA-N |
| Fcsp3 | 0.4736842105263157 |
| Logs | -3.157 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.162 |
| Compound Name | 5-Trideca-4,7-dienyl-benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 288.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.180200771428571 |
| Inchi | InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h6-7,9-10,14-16,20-21H,2-5,8,11-13H2,1H3/b7-6-,10-9- |
| Smiles | CCCCC/C=C\C/C=C\CCCC1=CC(=CC(=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalea Elegans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all