Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Target: 3Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4396
- Core Entity Id
- 8075
- Source Entity Count
- 1
- Preferred Name
- 3-formylindole
- Name En
- Pubchem Id
- 10256
- Smiles Canonical
- C1=CC=C2C(=C1)C(=CN2)C=O
- Molecular Formula
- C9H7NO
- Molecular Weight
- 145.1610
- Inchikey
- OLNJUISKUQQNIM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
- Isomeric Smiles
- C1=CC=C2C(=C1)C(=CN2)C=O
- Cas Id
- 487-89-8
- Ob Score
- 19.8157
- Mol Logp
- 1.9804
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Formylindole
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-formylindole
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-formylindole
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1H-Indole-3-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Indole-3-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Indole-3-carboxaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Indole-3-carboxaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Indolecarbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Indolecarbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Indolecarboxaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Indolecarboxaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
487-89-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
487-89-8
Role
alias
Source
HERB_v2
Preferred
No
Name
INDOLE-3-CARBOXALDEHYDE
Role
alias
Source
HERB_v2
Preferred
No
Name
INDOLE-3-CARBOXALDEHYDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
INDOLE-3-CARBOXYALDEHYDE
Role
alias
Source
HERB_v2
Preferred
No
Name
INDOLE-3-CARBOXYALDEHYDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Indole-3-aldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
Indole-3-aldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
Indole-3-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
Indole-3-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
indole-3-carboxaldehyde
Role
preferred
Source
TCMBank
Preferred
Yes
Name
129445_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
1H-indole-3-carbaldehyde
Role
alias
Source
TCMBank
Preferred
No
Name
246045-99-8
Role
alias
Source
TCMBank
Preferred
No
Name
3-Indolealdehyde
Role
alias
Source
TCMBank
Preferred
No
Name
5-21-08-00246 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
57210_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-52407
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-019632
Role
alias
Source
TCMBank
Preferred
No
Name
BAS 07339836
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0114117
Role
alias
Source
TCMBank
Preferred
No
Name
C08493
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 207-665-8
Role
alias
Source
TCMBank
Preferred
No
Name
INDOLE-3-ALDEHYDE
Role
alias
Source
TCMBank
Preferred
No
Name
Indol-3-carboxaldehyde
Role
alias
Source
TCMBank
Preferred
No
Name
Indole-3-carboxaldehyde
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00161738-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC10118
Role
alias
Source
TCMBank
Preferred
No
Name
SBB004120
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00087959
Role
alias
Source
TCMBank
Preferred
No
Name
beta-Indolylaldehyde
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1H-Indole-3-carbaldehyde1H-Indole-3-carboxaldehyde3-Indolecarbaldehyde3-Indolecarboxaldehyde487-89-8INDOLE-3-CARBOXALDEHYDEINDOLE-3-CARBOXYALDEHYDEIndole-3-aldehydeIndole-3-carbaldehyde129445_ALDRICH246045-99-83-Indolealdehyde5-21-08-00246 (Beilstein Handbook Reference)57210_FLUKAAI3-52407AIDS-019632BAS 07339836BRN 0114117C08493EINECS 207-665-8Indol-3-carboxaldehydeNCGC00161738-01NSC10118SBB004120ZINC00087959beta-Indolylaldehyde
Cross References
Trusted external identifiers retained for this final record.
Cas
487-89-8
Herb
HBIN008552HBIN030118
Npass
NPC42372
Tcmid
3242939629874
Tcmsp
MOL001762
Sym Map
SMIT04127
Tcm Id
24332
Pub Chem
10256
Tcmbank
TCMBANKIN058372
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
Mol Wt
145.161
Cas Id
487-89-8
Smiles
C1=CC=C2C(=C1)C(=CN2)C=O
Mol Log P
1.9804
Version
v1,v2
In Ch Ikey
OLNJUISKUQQNIM-UHFFFAOYSA-N
Ob Score
19.8157265319.816
Suppress
0
Num Hdonors
1
Drug Likeness
0.611
Num Hacceptors
1
Isomeric Smiles
C1=CC=C2C(=C1)C(=CN2)C=O
Molecule Weight
145.17
Canonical Smiles
C1=CC=C2C(=C1)C(=CN2)C=O
Herb Alias Names
INDOLE-3-CARBOXALDEHYDE1H-Indole-3-carbaldehyde487-89-81H-Indole-3-carboxaldehydeIndole-3-carbaldehydeIndole-3-aldehyde3-IndolecarbaldehydeINDOLE-3-CARBOXYALDEHYDE3-Indolecarboxaldehyde
Molecular Weight
145.16 g/mol
Molecular Formula
C9H7NO
Molecular Formula
C9H7NO
Num Rotatable Bonds
1