Brasixanthone B
PubChem CID: 10362269
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| Compound Synonyms | brasixanthone B, cudraxanthone Q, CHEBI:65519, 5,8-dihydroxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one, 5,8-dihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one, 5,8-Dihydroxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-2H,6H-pyrano(3,2-b)xanthen-6-one, 5,8-dihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano(3,2-b)xanthen-6-one, Q27133967, 327041-73-6 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 676.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C23H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BFPCRQCNDMJVOT-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -2.63 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.888 |
| Compound Name | Brasixanthone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 378.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 378.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.330228800000001 |
| Inchi | InChI=1S/C23H22O5/c1-12(2)5-7-15-21-14(9-10-23(3,4)28-21)19(25)18-20(26)16-11-13(24)6-8-17(16)27-22(15)18/h5-6,8-11,24-25H,7H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C=C(C=C4)O)O)C=CC(O2)(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calophyllum Brasiliense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Maclura Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients