5-O-Methylcelebixanthone
PubChem CID: 11537710
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| Compound Synonyms | 5-O-methylcelebixanthone, CHEBI:65607, 3,8-dihydroxy-2,4-dimethoxy-1-(3-methylbut-2-enyl)xanthen-9-one, 3,8-dihydroxy-2,4-dimethoxy-1-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, Q27134073, 905966-33-8 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 542.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,8-dihydroxy-2,4-dimethoxy-1-(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C20H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AIBPYVNEBSHOCZ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.141 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.145 |
| Compound Name | 5-O-Methylcelebixanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 356.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.472580338461539 |
| Inchi | InChI=1S/C20H20O6/c1-10(2)8-9-11-14-16(22)15-12(21)6-5-7-13(15)26-19(14)20(25-4)17(23)18(11)24-3/h5-8,21,23H,9H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=C(C(=C1OC)O)OC)OC3=CC=CC(=C3C2=O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cratoxylum Cochinchinense (Plant) Rel Props:Source_db:cmaup_ingredients