Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 77
- Core Entity Id
- 810
- Source Entity Count
- 1
- Preferred Name
- 2-(1-methoxyindol-3-yl)acetonitrile
- Name En
- Pubchem Id
- 11954881
- Smiles Canonical
- CON1C=C(C2=CC=CC=C21)CC#N
- Molecular Formula
- C11H10N2O
- Molecular Weight
- 186.2140
- Inchikey
- LIJIPBYXIXTNLE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H10N2O/c1-14-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3
- Isomeric Smiles
- CON1C=C(C2=CC=CC=C21)CC#N
- Cas Id
- Ob Score
- 63.5799
- Mol Logp
- 1.7658
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-(1-Methoxyindol-3-Yl)Acetonitrile
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-(1-Methoxyindol-3-Yl)Acetonitrile
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-(1-methoxyindol-3-yl)acetonitrile
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(1-methoxyindol-3-yl)acetonitrile
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-(1-methoxyindol-3-yl)acetonitrile
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-METHOXYINDOLEACETONITRILE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-METHOXYINDOLEACETONITRILE
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methoxy-1H-indole-3-acetonitrile
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methoxy-1H-indole-3-acetonitrile
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Indole-3-acetonitrile, 1-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Indole-3-acetonitrile, 1-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(1-Methoxyindol-3-yl)ethanenitrile
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(1-Methoxyindol-3-yl)ethanenitrile
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(1-methoxy-1H-indol-3-yl)acetonitrile
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(1-methoxy-1H-indol-3-yl)acetonitrile
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(1-methoxy-3-indolyl)acetonitrile
Role
alias
Source
TCMBank
Preferred
No
Name
2-(1-methoxyindol-3-yl)ethanenitrile
Role
alias
Source
TCMBank
Preferred
No
Name
30536-48-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
30536-48-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Caulilexin C
Role
alias
Source
HERB_v2
Preferred
No
Name
Caulilexin C
Role
alias
Source
itcmdb_public
Preferred
No
Name
Caulilexine C
Role
alias
Source
HERB_v2
Preferred
No
Name
Caulilexine C
Role
alias
Source
itcmdb_public
Preferred
No
Name
NBP9TAS7GE
Role
alias
Source
HERB_v2
Preferred
No
Name
NBP9TAS7GE
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-METHOXYINDOLEACETONITRILE1-Methoxy-1H-indole-3-acetonitrile1H-Indole-3-acetonitrile, 1-methoxy-2-(1-Methoxyindol-3-yl)ethanenitrile2-(1-methoxy-1H-indol-3-yl)acetonitrile2-(1-methoxy-3-indolyl)acetonitrile30536-48-2Caulilexin CCaulilexine CNBP9TAS7GE
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003577
Tcmsp
MOL001765
Sym Map
SMIT04130
Pub Chem
11954881
Tcmbank
TCMBANKIN019834
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H10N2O/c1-14-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3
Mol Wt
186.214
Smiles
CON1C=C(C2=CC=CC=C21)CC#N
Mol Log P
1.76578
Version
v1,v2
In Ch Ikey
LIJIPBYXIXTNLE-UHFFFAOYSA-N
Ob Score
63.57992363.5799233563.58
Suppress
0
Num Hdonors
0
Drug Likeness
0.716
Num Hacceptors
3
Isomeric Smiles
CON1C=C(C2=CC=CC=C21)CC#N
Molecule Weight
186.23
Canonical Smiles
CON1C=C(C2=CC=CC=C21)CC#N
Herb Alias Names
Caulilexin C30536-48-21H-Indole-3-acetonitrile, 1-methoxy-Caulilexine C1-Methoxy-1H-indole-3-acetonitrile1-METHOXYINDOLEACETONITRILENBP9TAS7GE2-(1-Methoxyindol-3-yl)ethanenitrile2-(1-methoxy-1H-indol-3-yl)acetonitrile
Molecular Weight
186.21 g/mol
Molecular Formula
C11H10N2O
Molecular Formula
C11H10N2O
Num Rotatable Bonds
2