6,11-Dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one
PubChem CID: 493305
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| Compound Synonyms | ananixanthone, CHEMBL460547, 6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one, 3H,7H-Pyrano[2,3-c]xanthen-7-one, 6,11-dihydroxy-3,3-dimethyl-5-(3-methyl-2-butenyl)-, 6,11-Dihydroxy-3,3-dimethyl-5-(3-methylbut-2-en-1-yl)pyrano[2,3-c]xanthen-7(3H)-one, 216776-01-1 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | WPZXDFBXPYQMFK-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Compound Name | 6,11-Dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 378.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.147 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 676.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 378.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -6.330228800000001 |
| Inchi | InChI=1S/C23H22O5/c1-12(2)8-9-14-19(26)17-18(25)13-6-5-7-16(24)21(13)27-22(17)15-10-11-23(3,4)28-20(14)15/h5-8,10-11,24,26H,9H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C(=CC=C4)O)C=CC(O2)(C)C)C |
| Xlogp | 5.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C23H22O5 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Nigrolineata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Symphonia Globulifera (Plant) Rel Props:Source_db:cmaup_ingredients