Nigrolineaxanthone A
PubChem CID: 5324508
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| Compound Synonyms | Nigrolineaxanthone A, 1,5-Dihydroxy-3-methoxy-4-(3-hydroxy-3-methylbutyl)xanthone, 1,8-Dihydroxy-4-(3-hydroxy-3-methyl-butyl)-3-methoxy-xanthen-9-one, 1,5-dihydroxy-4-(3-hydroxy-3-methylbutyl)-3-methoxy-9H-xanthen-9-one, 9H-xanthen-9-one, 1,5-dihydroxy-4-(3-hydroxy-3-methylbutyl)-3-methoxy-, 1,5-dihydroxy-4-(3-hydroxy-3-methylbutyl)-3-methoxyxanthen-9-one, 639084-84-7 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 492.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dihydroxy-4-(3-hydroxy-3-methylbutyl)-3-methoxyxanthen-9-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Is Pains | False |
| Molecular Formula | C19H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BUVUUTYHRGVEBL-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Nigrolineaxanthone A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 344.126 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 344.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 344.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.563550599999999 |
| Inchi | InChI=1S/C19H20O6/c1-19(2,23)8-7-10-14(24-3)9-13(21)15-16(22)11-5-4-6-12(20)17(11)25-18(10)15/h4-6,9,20-21,23H,7-8H2,1-3H3 |
| Smiles | CC(C)(CCC1=C(C=C(C2=C1OC3=C(C2=O)C=CC=C3O)O)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Nigrolineata (Plant) Rel Props:Source_db:cmaup_ingredients