Nigrolineaxanthone S
PubChem CID: 11282258
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | NIGROLINEAXANTHONE S, 3-((3E)-4,8-dimethylnona-3,7-dienyl)-6,11-dihydroxy-3-methylpyrano(2,3-c)xanthen-7-one, 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-6,11-dihydroxy-3-methylpyrano[2,3-c]xanthen-7-one, CHEMBL467409, 643026-20-4 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 809.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-6,11-dihydroxy-3-methylpyrano[2,3-c]xanthen-7-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 7.5 |
| Is Pains | False |
| Molecular Formula | C28H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RBHZFZSVMMGEQW-VCHYOVAHSA-N |
| Fcsp3 | 0.3214285714285714 |
| Rotatable Bond Count | 6.0 |
| Compound Name | Nigrolineaxanthone S |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 446.209 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 446.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 446.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.616905993939396 |
| Inchi | InChI=1S/C28H30O5/c1-17(2)8-5-9-18(3)10-7-14-28(4)15-13-19-23(33-28)16-22(30)24-25(31)20-11-6-12-21(29)26(20)32-27(19)24/h6,8,10-13,15-16,29-30H,5,7,9,14H2,1-4H3/b18-10+ |
| Smiles | CC(=CCC/C(=C/CCC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC=C4O)O)C)/C)C |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Nigrolineata (Plant) Rel Props:Source_db:cmaup_ingredients