Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 8Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27883
- Core Entity Id
- 34177
- Source Entity Count
- 1
- Preferred Name
- Norcantharidin
- Name En
- Pubchem Id
- 93004
- Smiles Canonical
- C1CC2C3C(C1O2)C(=O)OC3=O
- Molecular Formula
- C8H8O4
- Molecular Weight
- 168.1480
- Inchikey
- JAABVEXCGCXWRR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2
- Isomeric Smiles
- C1CC2C3C(C1O2)C(=O)OC3=O
- Cas Id
- Ob Score
- 97.7147
- Mol Logp
- -0.1366
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Norcantharidin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Norcantharidin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Norcantharidin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Norcantharidin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
norcantharidin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(Rac)-Norcantharidin
Role
alias
Source
HERB_v2
Preferred
No
Name
(Rac)-Norcantharidin
Role
alias
Source
itcmdb_public
Preferred
No
Name
29745-04-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
29745-04-8
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6-Endoxohexahydrophthalic anhydride
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,6-Endoxohexahydrophthalic anhydride
Role
alias
Source
HERB_v2
Preferred
No
Name
4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-
Role
alias
Source
HERB_v2
Preferred
No
Name
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5442-12-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
5442-12-6
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride
Role
alias
Source
HERB_v2
Preferred
No
Name
Endothall anhydride
Role
alias
Source
itcmdb_public
Preferred
No
Name
Endothall anhydride
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexahydro-4,7-epoxyisobenzofuran-1,3-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexahydro-4,7-epoxyisobenzofuran-1,3-dione
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(Rac)-Norcantharidin29745-04-83,6-Endoxohexahydrophthalic anhydride4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-5442-12-67-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydrideEndothall anhydrideHexahydro-4,7-epoxyisobenzofuran-1,3-dione
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037307
Tcmsp
MOL001857
Sym Map
SMIT04210
Pub Chem
93004
Tcmbank
TCMBANKIN027598
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2
Mol Wt
168.148
Smiles
C1CC2C3C(C1O2)C(=O)OC3=O
Mol Log P
-0.1366000000000001
Version
v1,v2
In Ch Ikey
JAABVEXCGCXWRR-UHFFFAOYSA-N
Ob Score
97.7147218297.71472297.715
Suppress
0
Num Hdonors
0
Drug Likeness
0.373
Num Hacceptors
4
Isomeric Smiles
C1CC2C3C(C1O2)C(=O)OC3=O
Molecule Weight
168.16
Canonical Smiles
C1CC2C3C(C1O2)C(=O)OC3=O
Herb Alias Names
5442-12-629745-04-8Endothall anhydrideHexahydro-4,7-epoxyisobenzofuran-1,3-dione7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-(Rac)-Norcantharidin3,6-Endoxohexahydrophthalic anhydride
Molecular Weight
168.15 g/mol
Molecular Formula
C8H8O4
Molecular Formula
C8H8O4
Num Rotatable Bonds
0