| Phytochemical Name : Cantharidin |
| PCNDIDC0032 |
| Pubchem CID : 5944 |
| Molecular formula: C10H12O4 |
| Canonical SMILES : CC12C3CCC(C1(C(=O)OC2=O)C)O3 |
Synonymes : cantharidin|56-25-7|CANTHARIDINE|Cantharone|Kantaridin|Cantharides camphor|Kantharidin|1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride|Kantharidin [German]|Caswell No. 157|Cantaridina|Cantharidinum|exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic anhydride|Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione|(3ar,4s,7r,7as)-3a,7a-dimethylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione|NSC61805|CAN [Alkaloid]|CCRIS 635|BRN 0085302|Cantharidin [USAN]|AI3-04021|HSDB 2181|EINECS 200-263-3|NSC 61805|NSC-61805|UNII-IGL471WQ8P|EPA Pesticide Chemical Code 013101|IGL471WQ8P|CHEMBL48449|4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aR,4S,7R,7aS)-rel-|CHEBI:64213|2,3-Dimethyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride|MFCD00134968|Cantharidin (USAN)|4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-|7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride, 2,3-dimethyl-|(1R,2S,3R,6S)-1,2-Dimethyl-3,6-epoxycyclohexane-1,2-dicarboxylic anhydride|Hexahydro-3aalpha,7aalpha-dimethyl-4beta,7beta-epoxyisobenzofuran-1,3-dione|4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)|5-19-05-00051 (Beilstein Handbook Reference)|Cantharides|4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aalpha,4beta,7beta,7aalpha)-|(3a?,4?,7?,7a?)-Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione|4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-,(3aR,4S,7R,7aS)-rel-|7a-Dimethylhexahydro-3a,4,7-epoxyisobenzofuran|CAS-56-25-7|NCGC00016247-01|3a,7a-Dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione|CANTHARIDIN [MI]|Prestwick3_000885|CANTHARIDIN [INN]|CANTHARIDIN [IARC]|2,3-dicarboxylic anhydride|CANTHARIDIN [VANDF]|CANTHARIDINE [HSDB]|NCIMech_000301|CANTHARIDIN [MART.]|CANTHARIDINUM [HPUS]|BSPBio_000670|CANTHARIDIN [WHO-DD]|SCHEMBL152262|BPBio1_000738|Cantharides camphor, Cantharone|cid_6708701|HMS2097B12|HMS3412J13|HMS3676J13|1,6-epoxyperhydrophthalic anhydride|4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-|AMY33451|BCP09819|HY-N0209|BDBM50090505|CCG-35382|CCG-36082|WHO 11470|C13H12O7S2.C4H10N2|AKOS015895930|AC-7967|CS-4979|DB12328|4,3-dione, hexahydro-3a,7a-dimethyl-|exo-1,6-epoxyhexahydrophthalic anhydride|NCGC00025212-02|NCGC00025212-03|NCGC00025212-04|NCGC00025212-05|NCGC00025212-31|AS-18735|LS-98756|NCI60_005413|WLN: T C555 A AO DVOVTJ C1 G1|AB00513946|Hexahydro-3a,7-epoxyisobenzofuran-1,3-dione|C13-H12-O7-S2.C4-H10-N2|D11745|7-Oxabicyclo[2.2.1]heptane-2, 2,3-dimethyl-|EN300-24727854|Q410884|SR-01000597585|SR-01000597585-1|BRD-K80684056-001-01-0|Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzo-furan-1,3-dione|(1R,2S,3R,6S)-1,2-dimethyl-3,6-epoxycyclohexan-1,2-dicarboxylanhydrid|(3aR,4S,7R,7aS)-3a,7a-dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione|(1R,2S,6R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione|(1R,2S,6R,7S)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.0,2,6]decane-3,5-dione|(1R,5S,6R,9S)-rel-1,5-Dimethyl-3,10-dioxatricyclo[3.2.1.01,5]decane-2,4-dione|(1R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione|(1S,2R,6S,7R)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione|(1S,2R,6S,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione|(1S,3S,4R,7R)-2,6-dimethyl-4,10-dioxa-tricyclo[5.2.1.0-2,6]decane-3,5-dione|(3aR,4S,7R,7aS)-rel-Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione|4,3-dione, hexahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-|Cantharidin:4,7-Epoxyisobenzofuran-1,3-dione,hexahydro-3a,7a- dimethyl-, (3a,4,7,7a)-,|HEXAHYDRO-3A.ALPHA.,7A.ALPHA.-DIMETHYL-4.BETA.,7.BETA.-EPOXYISOBENZOFURAN-1,3-DIONE|(3a-alpha,4-beta,7-beta,7a-alpha)-hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.560 |
| Log Po/w (XLOGP3) : 0.570 |
| Log Po/w (WLOGP) : 0.640 |
| Log Po/w (MLOGP) : 1.160 |
| Log Po/w (SILICOS-IT) : 1.640 |
| Consensus Log Po/w : 1.120 |

