Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35950
- Core Entity Id
- 43148
- Source Entity Count
- 1
- Preferred Name
- Tuberosine b
- Name En
- Pubchem Id
- 5322167
- Smiles Canonical
- C1CNC2=CC=CC=C2C1(C(=O)O)O
- Molecular Formula
- C10H11NO3
- Molecular Weight
- 193.2020
- Inchikey
- XMBFPFCDVMKUIN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H11NO3/c12-9(13)10(14)5-6-11-8-4-2-1-3-7(8)10/h1-4,11,14H,5-6H2,(H,12,13)
- Isomeric Smiles
- C1CNC2=CC=CC=C2C1(C(=O)O)O
- Cas Id
- Ob Score
- 75.9626
- Mol Logp
- 0.7744
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tuberosine B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Tuberosine B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tuberosine B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Tuberosine b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tuberosine b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
306955-19-1
Role
alias
Source
HERB_v2
Preferred
No
Name
306955-19-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
tuberosine b
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
306955-19-14-Hydroxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047307
Npass
NPC305627
Tcmid
22066
Tcmsp
MOL009153
Sym Map
SMIT10322
Pub Chem
5322167
Tcmbank
TCMBANKIN010852
Etcm Ingredient
Tuberosine B
Itcmdb Generated
ITX-INGREDIENT-03A735E5552E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H11NO3/c12-9(13)10(14)5-6-11-8-4-2-1-3-7(8)10/h1-4,11,14H,5-6H2,(H,12,13)
Mol Wt
193.202
Smiles
C1CNC2=CC=CC=C2C1(C(=O)O)O
Mol Log P
0.7743999999999998
Version
v1,v2
In Ch Ikey
XMBFPFCDVMKUIN-UHFFFAOYSA-N
Ob Score
75.96263175.962631375.963
Suppress
0
Num Hdonors
3
Drug Likeness
0.616
Num Hacceptors
3
Isomeric Smiles
C1CNC2=CC=CC=C2C1(C(=O)O)O
Molecule Weight
193.22
Canonical Smiles
C1CNC2=CC=CC=C2C1(C(=O)O)O
Herb Alias Names
4-Hydroxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid306955-19-14-Hydroxy-1,2,3,4-tetrahydroquinoline-4-carboxylicacid
Molecular Weight
193.070
Molecular Weight
193.22
Molecular Formula
C10H11NO3
Molecular Formula
C10H11NO3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.322
Quantitative Estimate Of Drug Likeness（Qed）
0.616