Manglexanthone
PubChem CID: 10001484
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| Compound Synonyms | MANGLEXANTHONE, 62326-62-9, 5,8-dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one, 5,8-dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano(3,2-b)xanthen-6-one, CHEMBL2437088, 5,8-Dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-pyrano[3,2-b]xanthen-6-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 723.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C24H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IGOVDGFRUNTYAS-UHFFFAOYSA-N |
| Fcsp3 | 0.2916666666666667 |
| Logs | -2.677 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.669 |
| Compound Name | Manglexanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 408.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 408.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 408.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.4068233333333335 |
| Inchi | InChI=1S/C24H24O6/c1-12(2)6-7-14-22-15(10-16(25)23(14)28-5)21(27)19-18(29-22)11-17-13(20(19)26)8-9-24(3,4)30-17/h6,8-11,25-26H,7H2,1-5H3 |
| Smiles | CC(=CCC1=C2C(=CC(=C1OC)O)C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Picrasma Javanica (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Salvia Aegyptiaca (Plant) Rel Props:Source_db:npass_chem_all