(+)-Ventiloquinone L methyl ether
PubChem CID: 11822781
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL594259, (+)-Ventiloquinone L methyl ether |
|---|---|
| Topological Polar Surface Area | 61.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 523.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,3S)-7,9-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C17H18O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZFNNECVFPZCUIB-DTWKUNHWSA-N |
| Fcsp3 | 0.4117647058823529 |
| Logs | -4.173 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.905 |
| Compound Name | (+)-Ventiloquinone L methyl ether |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 302.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 302.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0001393818181814 |
| Inchi | InChI=1S/C17H18O5/c1-8-5-11-14(9(2)22-8)17(19)15-12(16(11)18)6-10(20-3)7-13(15)21-4/h6-9H,5H2,1-4H3/t8-,9+/m0/s1 |
| Smiles | C[C@H]1CC2=C([C@H](O1)C)C(=O)C3=C(C2=O)C=C(C=C3OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Botryococcus Braunii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Morus Mongolica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all