Lastixanthone D
PubChem CID: 10739391
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| Compound Synonyms | lastixanthone D, 7,9,12-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)pyrano(3,2-b)xanthen-6-one, 7,9,12-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one, CHEMBL469412 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,9,12-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C23H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WONKAIBLCNOWOP-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -2.837 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.039 |
| Compound Name | Lastixanthone D |
| 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)5-6-13-15(24)10-16-17(18(13)25)19(26)14-9-12-7-8-23(3,4)29-21(12)20(27)22(14)28-16/h5,7-10,24-25,27H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C=C4C=CC(OC4=C3O)(C)C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Nigrolineata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all