(Q27104987)

XANTHOCHYMOL (English)

(1R,5R,7R)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-5-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-1,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

5 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₈H₅₀O₆

0 references

canonical SMILES

C=C(C)CCC(CC12CC(CC=C(C)C)(C(C)(C)C(CC=C(C)C)(C(C(C(C=3C=CC(=C(C3)O)O)=O)=C1O)=O)C2=O)[H])(C(=C)C)[H]

1 reference

xanthochymol (English)

5 October 2016

isomeric SMILES

C=C(C)CC[C@](C[C@]12C[C@](CC=C(C)C)(C(C)(C)[C@](CC=C(C)C)(C(C(C(C=3C=CC(=C(C3)O)O)=O)=C1O)=O)C2=O)[H])(C(=C)C)[H]

1 reference

Structure-activity relationship of polyisoprenyl benzophenones from Garcinia pyrifera on the tubulin/microtubule system

xanthochymol (English)

5 October 2016

2 references

Structure-activity relationship of polyisoprenyl benzophenones from Garcinia pyrifera on the tubulin/microtubule system

Garcinia subelliptica

3 references

Cytotoxic polyisoprenyl benzophenonoids from Garcinia subelliptica

Constituents of Green and Ripened Fruit of Garcinia subelliptica

Cytotoxic polyisoprenyl benzophenonoids from Garcinia subelliptica

Garcinia xanthochymus

2 references

Bioactive benzophenones from Garcinia xanthochymus fruits

Phenolic compounds from the flowers of Garcinia dulcis

Garcinia dulcis

1 reference

Phenolic compounds from the flowers of Garcinia dulcis

Garcinia livingstonei

1 reference

Benzophenones and biflavonoids from Garcinia livingstonei fruits

Garcinia mannii

1 reference

Phenolic compounds from the flowers of Garcinia dulcis

Garcinia ovalifolia

1 reference

Phenolic compounds from the flowers of Garcinia dulcis

Garcinia xipshuanbannaensis

1 reference

Xanthones with growth inhibition against HeLa cells from Garcinia xipshuanbannaensis

Garcinia intermedia

1 reference

Benzophenones and biflavonoids from Rheedia edulis

Identifiers

InChI

InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h12,14,16-17,19,27-28,39-40,42H,1,7,11,13,15,18,20-21H2,2-6,8-10H3/t27-,28+,37+,38-/m1/s1

1 reference

xanthochymol (English)

ZLMZRAYSIVLUPA-AKAMJVKKSA-N

5 October 2016

InChIKey

2 references

xanthochymol (English)

5 October 2016

ChEBI release 2020-09-01

2 references

xanthochymol (English)

ZLMZRAYSIVLUPA-AKAMJVKKSA-N

5 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=52617-32-0

1 reference

(1S,5S,7S)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-5-[(2R)-2-isopropenyl-5-methyl-5-hexen-1-yl]-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione (English)

5 October 2016

ChEBI ID

70327

mapping relation type

1 reference