Spirolouveline
PubChem CID: 11254284
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| Compound Synonyms | spirolouveline, 2',7-dihydroxy-5'-methoxyspiro(2,3-dihydro-1H-naphthalene-4,4'-cyclohexa-2,5-diene)-1'-one, 2',7-dihydroxy-5'-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-cyclohexa-2,5-diene]-1'-one, CHEMBL468241 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 479.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2',7-dihydroxy-5'-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-cyclohexa-2,5-diene]-1'-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Is Pains | False |
| Molecular Formula | C16H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GTYGLNVWIMJYFI-UHFFFAOYSA-N |
| Fcsp3 | 0.3125 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Spirolouveline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 272.105 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 272.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.37266 |
| Inchi | InChI=1S/C16H16O4/c1-20-15-8-13(18)14(19)9-16(15)6-2-3-10-7-11(17)4-5-12(10)16/h4-5,7-9,17,19H,2-3,6H2,1H3 |
| Smiles | COC1=CC(=O)C(=CC12CCCC3=C2C=CC(=C3)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Louvelii (Plant) Rel Props:Source_db:cmaup_ingredients