Longistyline D
PubChem CID: 18546463
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| Compound Synonyms | Longistyline D, 4,6-bis(3-methylbut-2-enyl)-5-((E)-2-phenylethenyl)benzene-1,3-diol, 4,6-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol, CHEMBL471086, SCHEMBL6235184, 64095-62-1 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,6-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 7.3 |
| Molecular Formula | C24H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OKMVXSASFNVYOK-NTCAYCPXSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.998 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.035 |
| Compound Name | Longistyline D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 348.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 348.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.564051661538462 |
| Inchi | InChI=1S/C24H28O2/c1-17(2)10-13-21-20(15-12-19-8-6-5-7-9-19)22(14-11-18(3)4)24(26)16-23(21)25/h5-12,15-16,25-26H,13-14H2,1-4H3/b15-12+ |
| Smiles | CC(=CCC1=C(C(=C(C=C1O)O)CC=C(C)C)/C=C/C2=CC=CC=C2)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gossypium Hirsutum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lonchocarpus Chiricanus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rheum Palmatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all