Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15069
- Core Entity Id
- 19914
- Source Entity Count
- 1
- Preferred Name
- Concanavalin a
- Name En
- Pubchem Id
- 155486958
- Smiles Canonical
- CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]
- Molecular Formula
- C23H32N6O8S
- Molecular Weight
- 552.6100
- Inchikey
- RVSZVJZFCQZYHQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H19NO4S.C10H13N5O4/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);3,6-8,16H,2,4H2,1H3,(H,12,17,18)
- Isomeric Smiles
- CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]
- Cas Id
- 11028-71-0
- Ob Score
- Mol Logp
- 1.9992
- Num H Donors
- 3
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.2250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Concanavalin A
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Concanavalin A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Concanavalin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Concanavalin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
concanavalin a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
11028-71-0
Role
alias
Source
HERB_v2
Preferred
No
Name
11028-71-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(dipropylsulfamoyl)benzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(dipropylsulfamoyl)benzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
CONCANAVALIN A TYPE III
Role
alias
Source
itcmdb_public
Preferred
No
Name
CONCANAVALIN A TYPE III
Role
alias
Source
HERB_v2
Preferred
No
Name
ConA Type A IV
Role
alias
Source
itcmdb_public
Preferred
No
Name
ConA Type A IV
Role
alias
Source
HERB_v2
Preferred
No
Name
Concanavalin A lectin (Con A)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Concanavalin A lectin (Con A)
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-62452
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-62452
Role
alias
Source
itcmdb_public
Preferred
No
Name
LS-15016
Role
alias
Source
itcmdb_public
Preferred
No
Name
LS-15016
Role
alias
Source
HERB_v2
Preferred
No
Name
RVSZVJZFCQZYHQ-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
RVSZVJZFCQZYHQ-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
probenecid
Role
alias
Source
HERB_v2
Preferred
No
Name
probenecid
Role
alias
Source
itcmdb_public
Preferred
No
Name
zidovudine
Role
alias
Source
HERB_v2
Preferred
No
Name
zidovudine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione11028-71-04-(dipropylsulfamoyl)benzoic acidCONCANAVALIN A TYPE IIIConA Type A IVConcanavalin A lectin (Con A)DA-62452LS-15016RVSZVJZFCQZYHQ-UHFFFAOYSA-Nprobenecidzidovudine
Cross References
Trusted external identifiers retained for this final record.
Cas
11028-71-0
Herb
HBIN021328
Tcmid
24008
Sym Map
SMIT01976
Tcm Id
17933219625522
Pub Chem
155486958
Tcmbank
TCMBANKIN020541
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C13H19NO4S.C10H13N5O4/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);3,6-8,16H,2,4H2,1H3,(H,12,17,18)
Mol Wt
552.6100000000001
Cas Id
11028-71-0
Mol Log P
1.999220000000001
Version
v1,v2
In Ch Ikey
RVSZVJZFCQZYHQ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.225
Num Hacceptors
9
Isomeric Smiles
CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]
Canonical Smiles
CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]
Herb Alias Names
11028-71-0CONCANAVALIN A TYPE III1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione4-(dipropylsulfamoyl)benzoic acidConA Type A IVprobenecidzidovudineConcanavalin A lectin (Con A)RVSZVJZFCQZYHQ-UHFFFAOYSA-NDA-62452LS-15016
Molecular Formula
C23H32N6O8S
Num Rotatable Bonds
10