(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-phenyl-(6E)-6-hepten-3-ol
PubChem CID: 49831860
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| Compound Synonyms | CHEBI:70693, 158697-56-4, 4-((3R,6E)-3-Hydroxy-7-phenyl-6-hepten-1-yl)-1,2-benzenediol, 4-[(3R,6E)-3-Hydroxy-7-phenyl-6-hepten-1-yl]-1,2-benzenediol, CHEMBL1270049, DTXSID80873810, Q27139024, (+)-(3R)-1-(3,4-dihydroxyphenyl)-7-phenyl-(6E)-6-hepten-3-ol, (R,E)-4-(3-Hydroxy-7-phenylhept-6-en-1-yl)benzene-1,2-diol |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[(E,3R)-3-hydroxy-7-phenylhept-6-enyl]benzene-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 4.2 |
| Molecular Formula | C19H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OELWYQGRQUQQPD-IOMDMTNGSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -3.802 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.128 |
| Compound Name | (+)-(3R)-1-(3,4-dihydroxyphenyl)-7-phenyl-(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(9-5-4-8-15-6-2-1-3-7-15)12-10-16-11-13-18(21)19(22)14-16/h1-4,6-8,11,13-14,17,20-22H,5,9-10,12H2/b8-4+/t17-/m1/s1 |
| Smiles | C1=CC=C(C=C1)/C=C/CC[C@H](CCC2=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