Fuscaxanthone A
PubChem CID: 5324264
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| Compound Synonyms | Fuscaxanthone A, Fucaxanthone A, 2H,6H-pyrano[3,2-b]xanthen-6-one, 7-[(2E)-3,7-dimethyl-2,6-octadienyl]-5,9-dihydroxy-8-methoxy-2,2-dimethyl-, 7-(3,7-Dimethyl-octa-2,6-dienyl)-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H-pyrano[3,2-b]xanthen-6-one, 7-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one, 7-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,9-dihydroxy-8-methoxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one, 2H,6H-pyrano(3,2-b)xanthen-6-one, 7-((2E)-3,7-dimethyl-2,6-octadienyl)-5,9-dihydroxy-8-methoxy-2,2-dimethyl-, 7-((2E)-3,7-dimethylocta-2,6-dien-1-yl)-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H,6H-pyrano(3,2-b)xanthen-6-one, 7-((2E)-3,7-dimethylocta-2,6-dienyl)-5,9-dihydroxy-8-methoxy-2,2-dimethylpyrano(3,2-b)xanthen-6-one, 7-(3,7-Dimethyl-octa-2,6-dienyl)-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H-pyrano(3,2-b)xanthen-6-one, CHEMBL3421661, 499777-91-2 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 868.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,9-dihydroxy-8-methoxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 7.5 |
| Molecular Formula | C29H32O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XDMFZDJOFFBFDK-LICLKQGHSA-N |
| Fcsp3 | 0.3448275862068966 |
| Logs | -2.561 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.781 |
| Compound Name | Fuscaxanthone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 476.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 476.22 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 476.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.753627800000001 |
| Inchi | InChI=1S/C29H32O6/c1-16(2)8-7-9-17(3)10-11-19-24-22(14-20(30)28(19)33-6)34-23-15-21-18(12-13-29(4,5)35-21)26(31)25(23)27(24)32/h8,10,12-15,30-31H,7,9,11H2,1-6H3/b17-10+ |
| Smiles | CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)OC)/C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Cowa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all