(R)-Lasiodiplodin
PubChem CID: 11833217
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| Compound Synonyms | (R)-Lasiodiplodin, (4R)-14-hydroxy-16-methoxy-4-methyl-3-oxabicyclo(10.4.0)hexadeca-1(12),13,15-trien-2-one, (4R)-14-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one, (9R)-15-hydroxy-13-methoxy-9-methyl-10-oxabicyclo(10.4.0)hexadeca-1(16),12,14-trien-11-one, (9R)-15-hydroxy-13-methoxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(16),12,14-trien-11-one, CHEMBL1669748 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (4R)-14-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C17H24O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OKWRDLQBKAOJNC-GFCCVEGCSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -4.554 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.78 |
| Compound Name | (R)-Lasiodiplodin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 292.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 292.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.784353571428572 |
| Inchi | InChI=1S/C17H24O4/c1-12-8-6-4-3-5-7-9-13-10-14(18)11-15(20-2)16(13)17(19)21-12/h10-12,18H,3-9H2,1-2H3/t12-/m1/s1 |
| Smiles | C[C@@H]1CCCCCCCC2=C(C(=CC(=C2)O)OC)C(=O)O1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phonus Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Prunus Serrulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all