This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

3,6-Dimethylmangostin

PubChem CID: 231412

Connections displayed (default: 10).
Loading graph...

Compound Synonyms fuscaxanthone c, 15404-76-9, 3,6-Dimethylmangostin, NSC27594, 1-HYDROXY-3,6,7-TRIMETHOXY-2,8-DIPRENYLXANTHONE, 1-hydroxy-3,6,7-trimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one, 1-Hydroxy-3,6,7-trimethoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, MANGOSTIN,DIMETHYL-, di-O-methylmangostin, Mangostin, dimethyl-, CHEMBL464524, D047BK20VG, NSC-27594, C26H30O6, UNII-D047BK20VG, Dimethylmangostin, Dimethyl-Mangostin, NSC 27594, SCHEMBL3740906, DTXSID80165525, 3,6-di-O-methyl-alpha-mangostin, CHEBI:175541, HY-N6247, 3,6-DIMETHYLMANGOSTIN [MI], BDBM50346340, AKOS037514941, CCG-214264, FD145229, MS-27858, DB-216129, CS-0032782, G14428, SR-05000002673, SR-05000002673-1, BRD-K60465509-001-01-1, Q27275919, 1-HYDROXY-3,6,7-TRIMETHOXY-2,8-BIS-(3-METHYL-2-BUTEN-1-YL)-9H-XANTHEN-9-ONE, 9H-XANTHEN-9-ONE, 1-HYDROXY-3,6,7-TRIMETHOXY-2,8-BIS(3-METHYL-2-BUTEN-1-YL)-, XANTHEN-9-ONE, 1-HYDROXY-3,6,7-TRIMETHOXY-2,8-BIS(3-METHYL-2-BUTENYL)-
Topological Polar Surface Area 74.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 32.0
Description Constituent of Garcinia mangostana (mangosteen). 1-Hydroxy-3,6,7-trimethoxy-2,8-diprenylxanthone is found in fruits.
Isotope Atom Count 0.0
Molecular Complexity 707.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q04206
Iupac Name 1-hydroxy-3,6,7-trimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
Prediction Hob 1.0
Xlogp 6.9
Molecular Formula C26H30O6
Prediction Swissadme 0.0
Inchi Key FCIKYGUVHWZSJV-UHFFFAOYSA-N
Fcsp3 0.3461538461538461
Logs -5.195
Rotatable Bond Count 7.0
Logd 3.921
Synonyms 1-Hydroxy-3,6,7-trimethoxy-2,8-diprenylxanthone, Dimethyl-mangostin, Fuscaxanthone C, Mangostin, dimethyl-, Mangostin,dimethyl-
Compound Name 3,6-Dimethylmangostin
Prediction Hob Swissadme 0.0
Exact Mass 438.204
Formal Charge 0.0
Monoisotopic Mass 438.204
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 438.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -7.126674000000001
Inchi InChI=1S/C26H30O6/c1-14(2)8-10-16-18(29-5)12-20-23(24(16)27)25(28)22-17(11-9-15(3)4)26(31-7)21(30-6)13-19(22)32-20/h8-9,12-13,27H,10-11H2,1-7H3
Smiles CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)OC)OC)CC=C(C)C)OC)C
Nring 3.0
Defined Bond Stereocenter Count 0.0