Turricolol E
PubChem CID: 5281861
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| Compound Synonyms | Turricolol E, 101392-12-5, 2-[(2E,6Z)-7-(hydroxymethyl)-3,11-dimethyldodeca-2,6,10-trienyl]benzene-1,4-diol, C10838, AC1NQZ70, CHEBI:9781, DTXSID10415202, Q27108496, 2-[(2E,6Z)-7-(hydroxymethyl)-3,11-dimethyl-dodeca-2,6,10-trienyl]benzene-1,4-diol |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 444.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(2E,6Z)-7-(hydroxymethyl)-3,11-dimethyldodeca-2,6,10-trienyl]benzene-1,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C21H30O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SNVNUOWZKGGIRP-ASKQTUSVSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -3.514 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.878 |
| Compound Name | Turricolol E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 330.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.0079015999999985 |
| Inchi | InChI=1S/C21H30O3/c1-16(2)6-4-8-18(15-22)9-5-7-17(3)10-11-19-14-20(23)12-13-21(19)24/h6,9-10,12-14,22-24H,4-5,7-8,11,15H2,1-3H3/b17-10+,18-9- |
| Smiles | CC(=CCC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)O)O)/C)/CO)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Aromatica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients