Salvilenone
PubChem CID: 389885
Connections displayed (default: 10).
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| Compound Synonyms | NSC686514, Salvilenone, 9-Isopropyl-2,2,5-trimethylphenaleno[1,9-bc]furan-8(2H)-one, CHEMBL1997332, NSC-686514, 57517-08-5, NCI60_031204, DB-318513 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 542.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,13,13-trimethyl-10-propan-2-yl-12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4,6,8(15),10-hexaen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C20H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WDBJFWOOWQREKA-UHFFFAOYSA-N |
| Fcsp3 | 0.35 |
| Logs | -4.754 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.114 |
| Compound Name | Salvilenone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 292.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 292.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.783307236363636 |
| Inchi | InChI=1S/C20H20O2/c1-10(2)15-18(21)13-7-6-11(3)12-8-9-14-17(16(12)13)19(15)22-20(14,4)5/h6-10H,1-5H3 |
| Smiles | CC1=C2C=CC3=C4C2=C(C=C1)C(=O)C(=C4OC3(C)C)C(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients