3-oxo-15-hydroxy-T-muurolol
PubChem CID: 70698232
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| Compound Synonyms | 3-oxo-15-hydroxy-T-muurolol, CHEBI:70468, Q27138805 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 372.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (4aR,5S,8S,8aS)-8-hydroxy-3-(hydroxymethyl)-8-methyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Is Pains | False |
| Molecular Formula | C15H24O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DMNVFCJXYDJOBT-ABHRYQDASA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 3-oxo-15-hydroxy-T-muurolol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 252.173 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 252.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 252.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4695947999999994 |
| Inchi | InChI=1S/C15H24O3/c1-9(2)11-4-5-15(3,18)13-7-14(17)10(8-16)6-12(11)13/h6,9,11-13,16,18H,4-5,7-8H2,1-3H3/t11-,12-,13-,15-/m0/s1 |
| Smiles | CC(C)[C@@H]1CC[C@]([C@@H]2[C@H]1C=C(C(=O)C2)CO)(C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Foveolata (Plant) Rel Props:Source_db:cmaup_ingredients