Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34522
- Core Entity Id
- 41566
- Source Entity Count
- 1
- Preferred Name
- Taraxacine b
- Name En
- Pubchem Id
- 10999180
- Smiles Canonical
- COC1=C2C(=CC(=N1)C(=O)O)C3=CC=CC=C3N2
- Molecular Formula
- C13H10N2O3
- Molecular Weight
- 242.2340
- Inchikey
- IZGILNCXLRBSAJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H10N2O3/c1-18-12-11-8(6-10(15-12)13(16)17)7-4-2-3-5-9(7)14-11/h2-6,14H,1H3,(H,16,17)
- Isomeric Smiles
- COC1=C2C(=CC(=N1)C(=O)O)C3=CC=CC=C3N2
- Cas Id
- Ob Score
- Mol Logp
- 2.4229
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7230
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Taraxacine B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Taraxacine B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Taraxacine b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Taraxacine b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
台湾蒲公英
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI WAN PU GONG YING
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Taiwan Dandelion*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1-Methoxy-9H-pyrido(3,4-b)indole-3-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methoxy-9H-pyrido[3,4-b]indole-3-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methoxy-9h-pyrido[3,4-b]indole-3-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methoxy-9h-pyrido[3,4-b]indole-3-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
626236-62-2
Role
alias
Source
HERB_v2
Preferred
No
Name
626236-62-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-345825
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-345825
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
台湾蒲公英TAI WAN PU GONG YINGTaiwan Dandelion*1-Methoxy-9H-pyrido(3,4-b)indole-3-carboxylate1-Methoxy-9H-pyrido[3,4-b]indole-3-carboxylate1-Methoxy-9h-pyrido[3,4-b]indole-3-carboxylic acid626236-62-2DB-345825
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045520
Npass
NPC235954
Tcmid
20677
Pub Chem
10999180
Tcmbank
TCMBANKIN049344
Etcm Ingredient
Taraxacine B
Itcmdb Generated
ITX-INGREDIENT-772724851023
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H10N2O3/c1-18-12-11-8(6-10(15-12)13(16)17)7-4-2-3-5-9(7)14-11/h2-6,14H,1H3,(H,16,17)
Mol Wt
242.234
Mol Log P
2.4229
In Ch Ikey
IZGILNCXLRBSAJ-UHFFFAOYSA-N
Tcm Name
台湾蒲公英
Tcm Name2
TAI WAN PU GONG YING
Mol2 Path
/TCM_database/2007_3d_all/20693.mol2
Reference
4345
Num Hdonors
2
Tcm Name En
Taiwan Dandelion*
Drug Likeness
0.723
Num Hacceptors
3
Isomeric Smiles
COC1=C2C(=CC(=N1)C(=O)O)C3=CC=CC=C3N2
Canonical Smiles
COC1=C2C(=CC(=N1)C(=O)O)C3=CC=CC=C3N2
Herb Alias Names
1-Methoxy-9h-pyrido[3,4-b]indole-3-carboxylic acid626236-62-21-Methoxy-9H-pyrido(3,4-b)indole-3-carboxylate1-Methoxy-9H-pyrido[3,4-b]indole-3-carboxylate1-methoxy-9H-pyrido(3,4-b)indole-3-carboxylic acidDB-345825
Molecular Weight
242.070
Molecular Weight
242.23 g/mol
Molecular Formula
C13H10N2O3
Molecular Formula
C13H10N2O3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.108
Quantitative Estimate Of Drug Likeness（Qed）
0.723