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
- 7542
- Core Entity Id
- 11564
- Source Entity Count
- 1
- Preferred Name
- 6-bromo-indole-3-carbaldehyde
- Name En
- Pubchem Id
- 2794830
- Smiles Canonical
- C1=CC2=C(C=C1Br)NC=C2C=O
- Molecular Formula
- C9H6BrNO
- Molecular Weight
- 224.0570
- Inchikey
- WCCLQCBKBPTODV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H6BrNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H
- Isomeric Smiles
- C1=CC2=C(C=C1Br)NC=C2C=O
- Cas Id
- Ob Score
- Mol Logp
- 2.7429
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Bromo-Indole-3-Carbaldehyde
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
6-Bromo-Indole-3-Carbaldehyde
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-bromo-indole-3-carbaldehyde
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-bromo-indole-3-carbaldehyde
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-bromo-indole-3-carbaldehyde
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
17826-04-9
Role
alias
Source
HERB_v2
Preferred
No
Name
17826-04-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Indole-3-carboxaldehyde, 6-bromo-
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Indole-3-carboxaldehyde, 6-bromo-
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Bromo-1H-indole-3-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Bromo-1H-indole-3-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Bromo-3-formylindole
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Bromo-3-formylindole
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Bromoindole-3-carboxaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Bromoindole-3-carboxaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-bromoindole-3-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
6-bromoindole-3-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3358229
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3358229
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10383452
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10383452
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00792689
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00792689
Role
alias
Source
HERB_v2
Preferred
No
Name
WCCLQCBKBPTODV-UHFFFAOYSA-
Role
alias
Source
HERB_v2
Preferred
No
Name
WCCLQCBKBPTODV-UHFFFAOYSA-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
17826-04-91H-Indole-3-carboxaldehyde, 6-bromo-6-Bromo-1H-indole-3-carbaldehyde6-Bromo-3-formylindole6-Bromoindole-3-carboxaldehyde6-bromoindole-3-carbaldehydeCHEMBL3358229DTXSID10383452MFCD00792689WCCLQCBKBPTODV-UHFFFAOYSA-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012282
Npass
NPC110158
Tcmid
36555
Sym Map
SMIT21836
Pub Chem
2794830
Tcmbank
TCMBANKIN004347
Itcmdb Generated
ITX-INGREDIENT-B66EA49E1BF6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H6BrNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H
Mol Wt
224.057
Smiles
C1=CC2=C(C=C1Br)NC=C2C=O
Mol Log P
2.742900000000001
Version
v2
In Ch Ikey
WCCLQCBKBPTODV-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.742
Num Hacceptors
1
Isomeric Smiles
C1=CC2=C(C=C1Br)NC=C2C=O
Canonical Smiles
C1=CC2=C(C=C1Br)NC=C2C=O
Herb Alias Names
6-Bromoindole-3-carboxaldehyde6-Bromo-1H-indole-3-carbaldehyde17826-04-91H-Indole-3-carboxaldehyde, 6-bromo-MFCD00792689CHEMBL3358229WCCLQCBKBPTODV-UHFFFAOYSA-DTXSID103834526-Bromo-3-formylindole6-bromoindole-3-carbaldehyde
Molecular Weight
224.05 g/mol
Molecular Formula
C9H6BrNO
Molecular Formula
C9H6BrNO
Num Rotatable Bonds
1