PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Limonin
PCNDIDL0063
Pubchem CID : 179651
Molecular formula: C26H30O8

Molecular weight : 470.500

Canonical SMILES : CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C

Synonymes : Limonin|1180-71-8|Dictamnolactone|Obaculactone|Citrolimonin|Evodin|Limonine|7,16-Dioxo-7,16-dideoxylimondiol|Limoni|Limonoic acid 3,19:16,17 dilactone|Limonoic acid, di-delta-lactone|Evodia fruit|limonoic acid di-delta-lactone|NSC 36508|limonoic acid 3,19:16,17-dilactone|Limonoate D-ring-lactone|CCRIS 4047|(4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione|DTXSID8045985|UNII-L0F260866S|CHEBI:16226|Limonoic acid, di-.delta.-lactone|L0F260866S|AI3-37932|(4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydrooxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(1H,6H,8aH)-trione|11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furyl)decahydro-2,2,4a,8a-tetramethyl-|DTXCID6025985|Limone|MFCD00075922|(1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione|(4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(3-furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione|11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-, (2aR,4aR,4bR,5aS,8S,8aS,10aR,10bR,14aS)-|1809582-56-6|rel-(4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydrooxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(1H,6H,8aH)-trione|CAS-1180-71-8|3-furyl(tetramethyl)[?]trione|Linonin|NSC36508|NSC-36508|NCGC00095714-01|11H,13H-Oxireno[d]pyrano[4',3':3,3a]isobenzofuro[5,4-f][2]benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furyl)decahydro-2,2,4a,8a-tetramethyl-|LIMONIN [MI]|Spectrum2_001728|Spectrum3_001012|Spectrum4_001140|Spectrum5_000935|Limonin, analytical standard|BSPBio_002763|KBioGR_001659|Limonoic acid di-del.-lactone|SCHEMBL320315|SPECTRUM1800018|SPBio_001776|CHEMBL517449|ACon1_001996|KBio3_001983|Limonoic acid di-.delta.-lactone|11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-, (2aR-(2aalpha,4abeta,4bR,5aalpha,8alpha,8aalpha,10aalpha,10bR*,14aalpha))-|Tox21_111513|BDBM50418089|CCG-38796|AKOS015965307|Tox21_111513_1|AC-8045|CS-1237|SDCCGMLS-0066837.P001|NCGC00178483-01|NCGC00178483-02|NCGC00178483-04|NCGC00178483-05|NCGC00178483-14|NCGC00263659-01|AS-15249|HY-17411|L0258|Limonin, from citrus seeds, >90% (HPLC)|S2319|C03514|A854522|Q-100083|Q2398745|BRD-K05906022-001-03-6|BRD-K05906022-001-05-1|Limone; Citrolimonin; Evodine; Dictamnolactone; Obaculactone|(4aS,14bR)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione|(4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione

Structure
3D structure 2D structure
179651
Predicted properties (NCBI Pubchem)

Physicochemical Properties