Nigrolineaxanthone Q
PubChem CID: 11440392
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| Compound Synonyms | NIGROLINEAXANTHONE Q, 6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)-1,2-dihydropyrano(2,3-c)xanthen-7-one, 6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)-1,2-dihydropyrano[2,3-c]xanthen-7-one, CHEMBL467408, 643026-18-0 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | KNIWDQZUTDLRKZ-UHFFFAOYSA-N |
| Fcsp3 | 0.3478260869565217 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Compound Name | Nigrolineaxanthone Q |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.162 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 637.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 380.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)-1,2-dihydropyrano[2,3-c]xanthen-7-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -6.374228000000001 |
| Inchi | InChI=1S/C23H24O5/c1-12(2)8-9-14-19(26)17-18(25)13-6-5-7-16(24)21(13)27-22(17)15-10-11-23(3,4)28-20(14)15/h5-8,24,26H,9-11H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C(=CC=C4)O)CCC(O2)(C)C)C |
| Xlogp | 5.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C23H24O5 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Nigrolineata (Plant) Rel Props:Source_db:cmaup_ingredients