Bombamalone C
PubChem CID: 23642717
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| Compound Synonyms | BOMBAMALONE C, CHEMBL249664, 7-hydroxy-8-methoxy-6-methyl-4-propan-2-ylnaphthalene-1,2-dione, 953793-05-0 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | CUUXUHGKFHFBSP-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Compound Name | Bombamalone C |
| Exact Mass | 260.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.105 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 424.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 260.279 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-8-methoxy-6-methyl-4-propan-2-ylnaphthalene-1,2-dione |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H16O4/c1-7(2)9-6-11(16)14(18)12-10(9)5-8(3)13(17)15(12)19-4/h5-7,17H,1-4H3 |
| Smiles | CC1=CC2=C(C(=C1O)OC)C(=O)C(=O)C=C2C(C)C |
| Xlogp | 2.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H16O4 |
- 1. Outgoing r'ship
FOUND_INto/from Bombax Malabaricum (Plant) Rel Props:Source_db:npass_chem_all