Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17395
- Core Entity Id
- 22504
- Source Entity Count
- 1
- Preferred Name
- Diphenylethene
- Name En
- Pubchem Id
- 154094
- Smiles Canonical
- CN(C)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Br)C3=CC=CC=C3
- Molecular Formula
- C24H24BrNO
- Molecular Weight
- 422.3660
- Inchikey
- IAJYQHATSIOBSH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C24H24BrNO/c1-26(2)17-18-27-22-15-13-20(14-16-22)23(19-9-5-3-6-10-19)24(25)21-11-7-4-8-12-21/h3-16H,17-18H2,1-2H3
- Isomeric Smiles
- CN(C)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Br)C3=CC=CC=C3
- Cas Id
- Ob Score
- Mol Logp
- 5.9385
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.4370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Diphenylethene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Diphenylethene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Diphenylethene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Diphenylethene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
diphenylethene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E,Z)-1-Bromo-2-[4-[2-(dimethylamino)ethoxy]phenyl]-1,2-diphenylethene
Role
alias
Source
HERB_v2
Preferred
No
Name
(E,Z)-1-Bromo-2-[4-[2-(dimethylamino)ethoxy]phenyl]-1,2-diphenylethene
Role
alias
Source
itcmdb_public
Preferred
No
Name
19076-79-0
Role
alias
Source
HERB_v2
Preferred
No
Name
19076-79-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-[4-(2-bromo-1,2-diphenylethenyl)phenoxy]-N,N-dimethylethanamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-[4-(2-bromo-1,2-diphenylethenyl)phenoxy]-N,N-dimethylethanamine
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS030240021
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS030240021
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethanamine, 2-[4-(2-bromo-1,2-diphenylethenyl)phenoxy]-N,N-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethanamine, 2-[4-(2-bromo-1,2-diphenylethenyl)phenoxy]-N,N-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E,Z)-1-Bromo-2-[4-[2-(dimethylamino)ethoxy]phenyl]-1,2-diphenylethene19076-79-02-[4-(2-bromo-1,2-diphenylethenyl)phenoxy]-N,N-dimethylethanamineAKOS030240021Ethanamine, 2-[4-(2-bromo-1,2-diphenylethenyl)phenoxy]-N,N-dimethyl-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024211
Npass
NPC164793
Tcmid
32700
Sym Map
SMIT23643
Pub Chem
154094
Tcmbank
TCMBANKIN005710
Itcmdb Generated
ITX-INGREDIENT-C3E347E7B9BA
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C24H24BrNO/c1-26(2)17-18-27-22-15-13-20(14-16-22)23(19-9-5-3-6-10-19)24(25)21-11-7-4-8-12-21/h3-16H,17-18H2,1-2H3
Mol Wt
422.366
Smiles
CN(C)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Br)C3=CC=CC=C3
Mol Log P
5.938500000000006
Version
v2
In Ch Ikey
IAJYQHATSIOBSH-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.437
Num Hacceptors
2
Isomeric Smiles
CN(C)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Br)C3=CC=CC=C3
Canonical Smiles
CN(C)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Br)C3=CC=CC=C3
Herb Alias Names
19076-79-02-[4-(2-bromo-1,2-diphenylethenyl)phenoxy]-N,N-dimethylethanamine(E,Z)-1-Bromo-2-[4-[2-(dimethylamino)ethoxy]phenyl]-1,2-diphenyletheneEthanamine, 2-[4-(2-bromo-1,2-diphenylethenyl)phenoxy]-N,N-dimethyl-AKOS030240021
Molecular Formula
C24H24BrNO
Molecular Formula
C24H24BrNO
Num Rotatable Bonds
7