2-Hydroxyplatyphyllide
PubChem CID: 14681766
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| Compound Synonyms | 2-Hydroxyplatyphyllide, AN-756/21193002, 4-hydroxy-3-(1-methylethylidene)-6,7,8,8a-tetrahydro-1-oxaacenaphthylen-2-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 362.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,11S)-6-hydroxy-11-prop-1-en-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C14H14O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BUSWPFRBQXQTLO-GWCFXTLKSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.451 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.945 |
| Compound Name | 2-Hydroxyplatyphyllide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 230.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 230.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3150070705882357 |
| Inchi | InChI=1S/C14H14O3/c1-7(2)10-4-3-8-5-9(15)6-11-12(8)13(10)17-14(11)16/h5-6,10,13,15H,1,3-4H2,2H3/t10-,13-/m0/s1 |
| Smiles | CC(=C)[C@@H]1CCC2=C3[C@H]1OC(=O)C3=CC(=C2)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Lutea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sinomenium Acutum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Viscum Multinerve (Plant) Rel Props:Source_db:cmaup_ingredients