4,6-Diene-1beta,14-dihydroxyeudesma-3-one
PubChem CID: 50901153
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| Compound Synonyms | CHEMBL1651035, CHEBI:70460, 4,6-Diene-1beta,14-dihydroxyeudesma-3-one, BDBM50335582, 4,6-Diene-1beta,15-dihydroxyeudesma-3-one, Q27138797 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | Q04206 |
| Iupac Name | (4R,4aR)-4-hydroxy-1-(hydroxymethyl)-4a-methyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C15H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ARYHWGXGRJYLNK-HUUCEWRRSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.517 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.736 |
| Compound Name | 4,6-Diene-1beta,14-dihydroxyeudesma-3-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 250.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 250.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1042955999999995 |
| Inchi | InChI=1S/C15H22O3/c1-9(2)10-4-5-15(3)12(6-10)11(8-16)13(17)7-14(15)18/h6,9,14,16,18H,4-5,7-8H2,1-3H3/t14-,15-/m1/s1 |
| Smiles | CC(C)C1=CC2=C(C(=O)C[C@H]([C@@]2(CC1)C)O)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Foveolata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all