Isophilippinolide A
PubChem CID: 11210739
Connections displayed (default: 10).
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| Compound Synonyms | Isophilippinolide A, (3Z,4S)-4-hydroxy-5-methylidene-3-octadecylideneoxolan-2-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3Z,4S)-4-hydroxy-5-methylidene-3-octadecylideneoxolan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 8.9 |
| Molecular Formula | C23H40O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SQZLNCJQWPKOOM-SUAFWNPMSA-N |
| Fcsp3 | 0.782608695652174 |
| Logs | -5.219 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.213 |
| Compound Name | Isophilippinolide A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 364.298 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.298 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 364.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.645034000000001 |
| Inchi | InChI=1S/C23H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22(24)20(2)26-23(21)25/h19,22,24H,2-18H2,1H3/b21-19-/t22-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCCC/C=C\1/[C@@H](C(=C)OC1=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Arbuscula (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cheilanthes Mysurensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Citrus Reshni (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Dacrycarpus Imbricatus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Lonchocarpus Urucu (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Myristica Argentea (Plant) Rel Props:Source_db:cmaup_ingredients