Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13749
- Core Entity Id
- 18452
- Source Entity Count
- 1
- Preferred Name
- Carboline-1-carboxylicacid,amide
- Name En
- Pubchem Id
- 611121
- Smiles Canonical
- C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C(=O)N
- Molecular Formula
- C12H9N3O
- Molecular Weight
- 211.2240
- Inchikey
- JUXJIYPXDYCRKZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H9N3O/c13-12(16)11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-10/h1-6,15H,(H2,13,16)
- Isomeric Smiles
- C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C(=O)N
- Cas Id
- Ob Score
- Mol Logp
- 1.8150
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Carboline-1-carboxylic acid, amide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Carboline-1-carboxylicacid,amide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Carboline-1-carboxylicacid,amide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
迪氏乌檀
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DI SHI WU TAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Diderrichi Fatheadtree*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
38940-60-2
Role
alias
Source
HERB_v2
Preferred
No
Name
38940-60-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Beta-carboline-1-carboxamide #
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Beta-carboline-1-carboxamide #
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Pyrido[3,4-b]indole-1-carboxamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Pyrido[3,4-b]indole-1-carboxamide
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3401840
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3401840
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL75155
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL75155
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-369767
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-369767
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1218770
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1218770
Role
alias
Source
HERB_v2
Preferred
No
Name
b-carboline amide
Role
alias
Source
HERB_v2
Preferred
No
Name
b-carboline amide
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-carbolinamide
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-carbolinamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-carbamoyl-beta-carboline
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Carboline-1-carboxylic acid, amide迪氏乌檀DI SHI WU TANDiderrichi Fatheadtree*38940-60-29H-Beta-carboline-1-carboxamide #9H-Pyrido[3,4-b]indole-1-carboxamideCHEMBL3401840CHEMBL75155DB-369767SCHEMBL1218770b-carboline amidebeta-carbolinamide1-carbamoyl-beta-carboline
Cross References
Trusted external identifiers retained for this final record.
Cas
38940-60-2
Herb
HBIN019714HBIN002433
Tcmid
3157
Tcm Id
9233
Pub Chem
611121
Tcmbank
TCMBANKIN013571TCMBANKIN027791TCMBANKIN002010
Itcmdb Generated
ITX-INGREDIENT-A76BDADAACA5
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H9N3O/c13-12(16)11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-10/h1-6,15H,(H2,13,16)
Mol Wt
211.224
Smiles
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C(=O)N
Mol Log P
1.815
In Ch Ikey
JUXJIYPXDYCRKZ-UHFFFAOYSA-N
Tcm Name
迪氏乌檀
Tcm Name2
DI SHI WU TAN
Mol2 Path
/TCM_database/2007_3d_all/03157.mol2
Reference
2178
Num Hdonors
2
Tcm Name En
Diderrichi Fatheadtree*
Drug Likeness
0.644
Num Hacceptors
2
Isomeric Smiles
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C(=O)N
Canonical Smiles
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C(=O)N
Herb Alias Names
9H-Pyrido[3,4-b]indole-1-carboxamide38940-60-2beta-carbolinamideb-carboline amideCHEMBL75155SCHEMBL1218770CHEMBL34018409H-Beta-carboline-1-carboxamide #DB-369767
Molecular Weight
211.22
Molecular Formula
C12H9N3O
Molecular Formula
C12H9N3O
Num Rotatable Bonds
1