Mangostin

C₂₄H₂₆O₆CAS 6147-11-1410.47 g/mol

Open in Covalent MOL file

Alkene Ether Phenol

Properties

Molecular formula: C₂₄H₂₆O₆
Molar mass: 410.47 g/mol
Exact mass: 410.1729 Da
Melting point: 180–181 °C
logP: 5.09Crippen estimate
Polar surface area: 100.1 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 5

Identifiers

CAS number

6147-11-1

SMILES

COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C

InChIKey

GNRIZKKCNOBBMO-UHFFFAOYSA-N

InChI

InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all

9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-
Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-
9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-
1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
1,3,6-Trihydroxy-7-methoxy-2,8-bis(3,3-dimethylallyl)xanthone
1,3,6-Trihydroxy-7-methoxy-2,8-di(3-methyl-2-butenyl)xanthone
α-Mangostin
α-Mangosten
NSC 139154
NSC 27593
NSC 30552
7-O-Methyl-4-desprenylcostatin
7-O-Methyl-γ-mangostin
1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one

Work with Mangostin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

β-Mangostin20931-37-787 % similar γ-Mangostin31271-07-576 % similar Garcinone C76996-27-563 % similar Gartanin33390-42-054 % similar Glycyrol23013-84-551 % similar Icaritin118525-40-951 % similar Glycycoumarin94805-82-049 % similar 8-Deoxygartanin33390-41-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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