(+)-(3R)-1,7-bis(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
PubChem CID: 38362130
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| Compound Synonyms | CHEBI:70687, (+)-(3R)-1,7-bis(4-hydroxyphenyl)-(6E)-6-hepten-3-ol, CHEMBL1269827, DTXSID501152095, 1251830-59-7, Q27139018, (3r)-1,7-bis(4-hydroxyphenyl)-(6e)-6-hepten-3-ol, 4,4'-[(1E,5R)-5-hydroxyhept-1-ene-1,7-diyl]diphenol, (I+/-R)-4-Hydroxy-I+/--[(3E)-4-(4-hydroxyphenyl)-3-buten-1-yl]benzenepropanol |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | O42713, n.a. |
| Iupac Name | 4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol |
| Prediction Hob | 0.0 |
| Xlogp | 4.2 |
| Molecular Formula | C19H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HLWUXTFOZZSNLD-XKKXFUJGSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -3.644 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.409 |
| Compound Name | (+)-(3R)-1,7-bis(4-hydroxyphenyl)-(6E)-6-hepten-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 298.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.258704763636363 |
| Inchi | InChI=1S/C19H22O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1,3,5-6,8-9,11-14,17,20-22H,2,4,7,10H2/b3-1+/t17-/m1/s1 |
| Smiles | C1=CC(=CC=C1CC[C@@H](CC/C=C/C2=CC=C(C=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all