5-Hydroxy-8-methoxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione
PubChem CID: 46833120
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL1097731 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 485.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5-hydroxy-8-methoxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OVTNFJRJFLMYCD-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.534 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.447 |
| Compound Name | 5-Hydroxy-8-methoxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.988155971428571 |
| Inchi | InChI=1S/C17H18O4/c1-10(2)5-4-6-11-9-13(19)15-12(18)7-8-14(21-3)16(15)17(11)20/h5,7-9,18H,4,6H2,1-3H3 |
| Smiles | CC(=CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)OC)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alkanna Cappadocica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all