Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39475
- Core Entity Id
- 73950
- Source Entity Count
- 1
- Preferred Name
- 1-formyl-beta-carboline
- Name En
- Pubchem Id
- 5317375
- Smiles Canonical
- C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C=O
- Molecular Formula
- C12H8N2O
- Molecular Weight
- 196.2090
- Inchikey
- CHQBGSRZQLMDEX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H8N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-7,14H
- Isomeric Smiles
- C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C=O
- Cas Id
- Ob Score
- Mol Logp
- 2.5286
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Formyl-Beta-Carboline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-Formyl-beta-carboline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-formyl-beta-carboline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-formyl-beta-carboline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-formyl-beta-carboline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Formyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Formyl-.beta.-carboline
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Formyl-.beta.-carboline
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Formyl-|A-carboline
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-formyl-β-carboline
Role
alias
Source
TCMBank
Preferred
No
Name
20127-63-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
20127-63-3
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-b-Carboline-1-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-b-Carboline-1-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-pyrido[3,4-b]indole-1-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-pyrido[3,4-b]indole-1-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-pyrido[3,4-b]indole-1-carboxaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-pyrido[3,4-b]indole-1-carboxaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
A-carboline
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD14706724
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD14706724
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC149850
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC149850
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-carboline-1-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-carboline-1-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Formyl-1-Formyl-.beta.-carboline1-Formyl-|A-carboline1-formyl-β-carboline20127-63-39H-b-Carboline-1-carbaldehyde9H-pyrido[3,4-b]indole-1-carbaldehyde9H-pyrido[3,4-b]indole-1-carboxaldehydeA-carbolineMFCD14706724NSC149850beta-carboline-1-carbaldehyde
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002545
Npass
NPC102755
Tcmid
309717897
Sym Map
SMIT19189
Pub Chem
5317375
Tcmbank
TCMBANKIN031075
Etcm Ingredient
1-Formyl-beta-carboline
Itcmdb Generated
ITX-INGREDIENT-EBCAA662A734
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H8N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-7,14H
Mol Wt
196.209
Smiles
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C=O
Mol Log P
2.5286
Version
v1,v2
In Ch Ikey
CHQBGSRZQLMDEX-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.608
Num Hacceptors
2
Isomeric Smiles
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C=O
Canonical Smiles
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C=O
Herb Alias Names
9H-pyrido[3,4-b]indole-1-carbaldehyde20127-63-39H-pyrido[3,4-b]indole-1-carboxaldehydebeta-carboline-1-carbaldehyde9H-b-Carboline-1-carbaldehyde1-Formyl-|A-carbolineMFCD14706724NSC1498501-Formyl-.beta.-carboline
Molecular Weight
196.060
Molecular Weight
196.2 g/mol
Molecular Formula
C12H8N2O
Molecular Formula
C12H8N2O
Molecular Formula
C12H8N2O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.851
Quantitative Estimate Of Drug Likeness（Qed）
0.608