Nigrolineaxanthone M
PubChem CID: 11269474
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| Compound Synonyms | NIGROLINEAXANTHONE M, 5,10-dihydroxy-7-(3-hydroxy-3-methylbutyl)-2,2-dimethylpyrano(3,2-b)xanthen-6-one, 5,10-dihydroxy-7-(3-hydroxy-3-methylbutyl)-2,2-dimethylpyrano[3,2-b]xanthen-6-one, CHEMBL518394, 643026-14-6 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 670.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,10-dihydroxy-7-(3-hydroxy-3-methylbutyl)-2,2-dimethylpyrano[3,2-b]xanthen-6-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Is Pains | False |
| Molecular Formula | C23H24O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VIMVNUNYFFLZDN-UHFFFAOYSA-N |
| Fcsp3 | 0.3478260869565217 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Nigrolineaxanthone M |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 396.157 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 396.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 396.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.493763179310346 |
| Inchi | InChI=1S/C23H24O6/c1-22(2,27)9-7-12-5-6-14(24)21-17(12)20(26)18-16(28-21)11-15-13(19(18)25)8-10-23(3,4)29-15/h5-6,8,10-11,24-25,27H,7,9H2,1-4H3 |
| Smiles | CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4O3)O)CCC(C)(C)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Nigrolineata (Plant) Rel Props:Source_db:cmaup_ingredients