Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 5Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14410
- Core Entity Id
- 19183
- Source Entity Count
- 1
- Preferred Name
- Chymopapain
- Name En
- Pubchem Id
- 9002
- Smiles Canonical
- C1=C(C=C(C(=C1O)O)S(=O)(=O)O)S(=O)(=O)O
- Molecular Formula
- C6H6O8S2
- Molecular Weight
- 270.2400
- Inchikey
- XXAXVMUWHZHZMJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H6O8S2/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14/h1-2,7-8H,(H,9,10,11)(H,12,13,14)
- Isomeric Smiles
- C1=C(C=C(C(=C1O)O)S(=O)(=O)O)S(=O)(=O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.4088
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chymopapain
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Chymopapain
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chymopapain
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Chymopapain
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Chymopapain
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,3-Benzenedisulfonic acid, 4,5-dihydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Benzenedisulfonic acid, 4,5-dihydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
149-46-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
149-46-2
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-Disulfopyrocatechol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-Disulfopyrocatechol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,5-Dihydroxy-1,3-benzenedisulfonic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,5-Dihydroxy-1,3-benzenedisulfonic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4,5-Dihydroxybenzene-1,3-disulphonic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4,5-Dihydroxybenzene-1,3-disulphonic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,5-dihydroxybenzene-1,3-disulfonic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,5-dihydroxybenzene-1,3-disulfonic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrocatechol-3,5-disulfonic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrocatechol-3,5-disulfonic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tiferron
Role
alias
Source
HERB_v2
Preferred
No
Name
Tiferron
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tiron free acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Tiron free acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3-Benzenedisulfonic acid, 4,5-dihydroxy-149-46-23,5-Disulfopyrocatechol4,5-Dihydroxy-1,3-benzenedisulfonic acid4,5-Dihydroxybenzene-1,3-disulphonic acid4,5-dihydroxybenzene-1,3-disulfonic acidPyrocatechol-3,5-disulfonic acidTiferronTiron free acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020522
Tcmid
37683
Sym Map
SMIT22945
Pub Chem
9002
Tcmbank
TCMBANKIN026125
Itcmdb Generated
ITX-INGREDIENT-80D771891193
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H6O8S2/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14/h1-2,7-8H,(H,9,10,11)(H,12,13,14)
Mol Wt
270.24
Smiles
C1=C(C=C(C(=C1O)O)S(=O)(=O)O)S(=O)(=O)O
Mol Log P
-0.4087999999999997
Version
v2
In Ch Ikey
XXAXVMUWHZHZMJ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
4
Drug Likeness
0.418
Num Hacceptors
6
Isomeric Smiles
C1=C(C=C(C(=C1O)O)S(=O)(=O)O)S(=O)(=O)O
Canonical Smiles
C1=C(C=C(C(=C1O)O)S(=O)(=O)O)S(=O)(=O)O
Herb Alias Names
Tiron free acid149-46-24,5-dihydroxybenzene-1,3-disulfonic acid1,3-Benzenedisulfonic acid, 4,5-dihydroxy-3,5-Disulfopyrocatechol4,5-Dihydroxy-1,3-benzenedisulfonic acidPyrocatechol-3,5-disulfonic acid4,5-Dihydroxybenzene-1,3-disulphonic acidTiferron
Molecular Weight
270.2 g/mol
Molecular Formula
C6H6O8S2
Molecular Formula
C6H6O8S2
Num Rotatable Bonds
2