Nigrolineaxanthone R
PubChem CID: 11315494
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | NIGROLINEAXANTHONE R, 5,10-dihydroxy-12-(3-hydroxy-3-methylbutyl)-2,2-dimethyl-3,4-dihydropyrano(3,2-b)xanthen-6-one, 5,10-dihydroxy-12-(3-hydroxy-3-methylbutyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one, CHEMBL511567, 643026-19-1 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 631.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,10-dihydroxy-12-(3-hydroxy-3-methylbutyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Is Pains | False |
| Molecular Formula | C23H26O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DBKLPARCLDNAEQ-UHFFFAOYSA-N |
| Fcsp3 | 0.4347826086956521 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Nigrolineaxanthone R |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 398.173 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 398.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 398.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.544062379310345 |
| Inchi | InChI=1S/C23H26O6/c1-22(2,27)10-8-14-19-13(9-11-23(3,4)29-19)18(26)16-17(25)12-6-5-7-15(24)20(12)28-21(14)16/h5-7,24,26-27H,8-11H2,1-4H3 |
| Smiles | CC1(CCC2=C(C3=C(C(=C2O1)CCC(C)(C)O)OC4=C(C3=O)C=CC=C4O)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Nigrolineata (Plant) Rel Props:Source_db:cmaup_ingredients