1,5,6-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,4)-2-(3-methylbut-2-enyl)xanthone
PubChem CID: 16743994
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| Compound Synonyms | 1,5,6-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,4)-2-(3-methylbut-2-enyl)xanthone, CHEBI:66792, Q27135423, 6,10,11-trihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one, 6,10,11-trihydroxy-3,3-dimethyl-5-(3-methylbut-2-en-1-yl)-3H,7H-pyrano[2,3-c]xanthen-7-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 708.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,10,11-trihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C23H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NMZYXFLWKXLXAQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -3.659 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.054 |
| Compound Name | 1,5,6-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,4)-2-(3-methylbut-2-enyl)xanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 394.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 394.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 394.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.189863979310346 |
| Inchi | InChI=1S/C23H22O6/c1-11(2)5-6-12-17(25)16-18(26)13-7-8-15(24)19(27)22(13)28-21(16)14-9-10-23(3,4)29-20(12)14/h5,7-10,24-25,27H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)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 Garcinia Lancilimba (Plant) Rel Props:Source_db:cmaup_ingredients