Lissoclinolide
PubChem CID: 5472800
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| Compound Synonyms | Lissoclinolide, 132074-82-9, (5Z)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one, (5Z)-5-((E)-4-hydroxybut-2-enylidene)-3-((E)-3-hydroxyprop-1-enyl)furan-2-one, lissoclinolide tetrenolin, CHEMBL465684, NSC721618, AKOS040752608, NSC-721618, (Z)-5-((E)-4-hydroxybut-2-en-1-ylidene)-3-((E)-3-hydroxyprop-1-en-1-yl)furan-2(5H)-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C11H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZYNGLDJNLYFSIV-CZFMBXACSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -1.642 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.015 |
| Compound Name | Lissoclinolide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 208.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -1.0181206 |
| Inchi | InChI=1S/C11H12O4/c12-6-2-1-5-10-8-9(4-3-7-13)11(14)15-10/h1-5,8,12-13H,6-7H2/b2-1+,4-3+,10-5- |
| Smiles | C\1=C(C(=O)O/C1=C\C=C\CO)/C=C/CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemone Obtusiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all