Isonormangostin
PubChem CID: 91884715
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| Compound Synonyms | Isonormangostin, 15404-80-5, Isormangostin, 10,16-dihydroxy-6,6,19,19-tetramethyl-5,13,18-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),10,15,17(22)-hexaen-2-one, 3,4,12,13-Tetrahydro-5,9-dihydroxy-2,2,11,11-tetramethyl-2H-dipyrano[2,3-a:2',3'-j]xanthen-14(11H)-one, 1-Isonormangostin, AKOS032961756, FS-10415, CS-0024312, 10,16-DIHYDROXY-6,6,19,19-TETRAMETHYL-5,13,18-TRIOXAPENTACYCLO[12.8.0.0(3),(1)(2).0?,?.0(1)?,(2)(2)]DOCOSA-1(22),3,9,11,14,16-HEXAEN-2-ONE, 10,16-dihydroxy-6,6,19,19-tetramethyl-5,13,18-trioxapentacyclo[12.8.0.0^{3,12.0^{4,9.0^{17,22]docosa-1(14),3(12),4(9),10,15,17(22)-hexaen-2-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 674.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10,16-dihydroxy-6,6,19,19-tetramethyl-5,13,18-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),10,15,17(22)-hexaen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C23H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NAONXHGSDQDBNY-UHFFFAOYSA-N |
| Fcsp3 | 0.4347826086956521 |
| Logs | -3.898 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.64 |
| Compound Name | Isonormangostin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 396.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 396.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.653963179310345 |
| Inchi | InChI=1S/C23H24O6/c1-22(2)8-6-12-17-15(10-14(25)20(12)28-22)27-16-9-13(24)11-5-7-23(3,4)29-21(11)18(16)19(17)26/h9-10,24-25H,5-8H2,1-4H3 |
| Smiles | CC1(CCC2=C(O1)C3=C(C=C2O)OC4=C(C3=O)C5=C(C(=C4)O)OC(CC5)(C)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients