Nigrolineaxanthone J
PubChem CID: 11280441
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| Compound Synonyms | NIGROLINEAXANTHONE J, 5,10-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano(3,2-b)xanthen-6-one, 5,10-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one, CHEMBL462456, 643026-11-3 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | ZNUHDTCPGJNVHM-UHFFFAOYSA-N |
| Fcsp3 | 0.3478260869565217 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Compound Name | Nigrolineaxanthone J |
| 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 | 5,10-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-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)5-6-13-7-8-15(24)22-18(13)21(26)19-17(27-22)11-16-14(20(19)25)9-10-23(3,4)28-16/h5,7-8,11,24-25H,6,9-10H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=C(C=C1)O)OC3=CC4=C(CCC(O4)(C)C)C(=C3C2=O)O)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