Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11566
- Core Entity Id
- 16023
- Source Entity Count
- 1
- Preferred Name
- Arundine
- Name En
- Pubchem Id
- 3071
- Smiles Canonical
- C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43
- Molecular Formula
- C17H14N2
- Molecular Weight
- 246.3130
- Inchikey
- VFTRKSBEFQDZKX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
- Isomeric Smiles
- C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43
- Cas Id
- Ob Score
- Mol Logp
- 4.2400
- Num H Donors
- 2
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Arundine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Arundine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
arundine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1968-05-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
1968-05-4
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Indole, 3,3'-methylenebis-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Indole, 3,3'-methylenebis-
Role
alias
Source
HERB_v2
Preferred
No
Name
3,3'-Diindolylmethane
Role
alias
Source
HERB_v2
Preferred
No
Name
3,3'-Diindolylmethane
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,3'-Methylenebis-1H-indole
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,3'-Methylenebis-1H-indole
Role
alias
Source
HERB_v2
Preferred
No
Name
3,3'-Methylenediindole
Role
alias
Source
HERB_v2
Preferred
No
Name
3,3'-Methylenediindole
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(1H-indol-3-ylmethyl)-1H-indole
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(1H-indol-3-ylmethyl)-1H-indole
Role
alias
Source
HERB_v2
Preferred
No
Name
DIM
Role
alias
Source
HERB_v2
Preferred
No
Name
DIM
Role
alias
Source
itcmdb_public
Preferred
No
Name
di(1H-indol-3-yl)methane
Role
alias
Source
HERB_v2
Preferred
No
Name
di(1H-indol-3-yl)methane
Role
alias
Source
itcmdb_public
Preferred
No
Name
diindolylmethane
Role
alias
Source
HERB_v2
Preferred
No
Name
diindolylmethane
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1968-05-41H-Indole, 3,3'-methylenebis-3,3'-Diindolylmethane3,3'-Methylenebis-1H-indole3,3'-Methylenediindole3-(1H-indol-3-ylmethyl)-1H-indoleDIMdi(1H-indol-3-yl)methanediindolylmethane
Cross References
Trusted external identifiers retained for this final record.
Hit
C0925
Herb
HBIN017009
Npass
NPC288838
Tcmid
37306
Pub Chem
3071
Tcmbank
TCMBANKIN012066
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
Mol Wt
246.313
Smiles
C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43
Mol Log P
4.240000000000001
In Ch Ikey
VFTRKSBEFQDZKX-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.53
Num Hacceptors
0
Isomeric Smiles
C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43
Canonical Smiles
C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43
Herb Alias Names
3,3'-Diindolylmethane1968-05-4diindolylmethanedi(1H-indol-3-yl)methane3,3'-Methylenebis-1H-indole3,3'-MethylenediindoleDIM1H-Indole, 3,3'-methylenebis-3-(1H-indol-3-ylmethyl)-1H-indole
Molecular Weight
246.31 g/mol
Molecular Formula
C17H14N2
Molecular Formula
C17H14N2
Num Rotatable Bonds
2