14,16-Dihydroxy-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
PubChem CID: 5316596
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| Compound Synonyms | CHEMBL1669771 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14,16-dihydroxy-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Is Pains | False |
| Molecular Formula | C15H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CSPXAUIPCGDIQH-UHFFFAOYSA-N |
| Fcsp3 | 0.5333333333333333 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 14,16-Dihydroxy-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.136 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 264.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 264.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.566374410526316 |
| Inchi | InChI=1S/C15H20O4/c16-12-9-11-7-5-3-1-2-4-6-8-19-15(18)14(11)13(17)10-12/h9-10,16-17H,1-8H2 |
| Smiles | C1CCCCOC(=O)C2=C(CCC1)C=C(C=C2O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:cmaup_ingredients