5-((Z)-14-(3,5-Dihydroxyphenyl)Tetradec-10-Enyl)Benzene-1,3-Diol
PubChem CID: 10364369
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| Compound Synonyms | CHEMBL455348, 5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-10-enyl]benzene-1,3-diol, 5,5'-(4-Tetradecene-1,4-diyl)bis[1,3-benzenediol], 5-((Z)-14-(3,5-Dihydroxyphenyl)Tetradec-10-Enyl)Benzene-1,3-Diol, SCHEMBL3486974, CHEBI:190600, BDBM50241610, AKOS040738879, 1,3-dihydroxy-5-[14''-(3'' '',5'' ''-dihydroxyphenyl)-cis-4''-tetradecenyl]benzene, 5-[(10Z)-14-(3,5-DIHYDROXYPHENYL)TETRADEC-10-EN-1-YL]BENZENE-1,3-DIOL, 223460-87-5 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P06766, P35520 |
| Iupac Name | 5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-10-enyl]benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Target Id | NPT4717 |
| Xlogp | 8.3 |
| Molecular Formula | C26H36O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PFIQXUYXVYYERO-ALCCZGGFSA-N |
| Fcsp3 | 0.4615384615384615 |
| Logs | -2.777 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.458 |
| Compound Name | 5-((Z)-14-(3,5-Dihydroxyphenyl)Tetradec-10-Enyl)Benzene-1,3-Diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 412.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 412.261 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 412.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.986333999999999 |
| Inchi | InChI=1S/C26H36O4/c27-23-15-21(16-24(28)19-23)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22-17-25(29)20-26(30)18-22/h5,7,15-20,27-30H,1-4,6,8-14H2/b7-5- |
| Smiles | C1=C(C=C(C=C1O)O)CCCCCCCCC/C=C\CCCC2=CC(=CC(=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
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FOUND_INto/from Adina Rubescens (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Curcuma Rubescens (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Isodon Rubescens (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Panopsis Rubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Trichilia Rubescens (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Zanthoxylum Rubescens (Plant) Rel Props:Reference: