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: 4Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5571
- Core Entity Id
- 9382
- Source Entity Count
- 1
- Preferred Name
- 4,4'-dimethoxy-1,1'-biphenyl
- Name En
- Pubchem Id
- 16484
- Smiles Canonical
- COC1=CC=C(C=C1)C2=CC=C(C=C2)OC
- Molecular Formula
- C14H14O2
- Molecular Weight
- 214.2640
- Inchikey
- UIMPAOAAAYDUKQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H14O2/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12/h3-10H,1-2H3
- Isomeric Smiles
- COC1=CC=C(C=C1)C2=CC=C(C=C2)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.3708
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4,4'-Dimethoxy-1,1'-Biphenyl
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4,4'-dimethoxy-1,1'-biphenyl
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4,4'-dimethoxy-1,1'-biphenyl
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,1'-Biphenyl, 4,4'-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,1'-Biphenyl, 4,4'-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
1-methoxy-4-(4-methoxyphenyl)benzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-methoxy-4-(4-methoxyphenyl)benzene
Role
alias
Source
HERB_v2
Preferred
No
Name
2132-80-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
2132-80-1
Role
alias
Source
HERB_v2
Preferred
No
Name
4,4 inverted exclamation marka-Dimethoxybiphenyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4 inverted exclamation marka-Dimethoxybiphenyl
Role
alias
Source
HERB_v2
Preferred
No
Name
4,4'-Bianisole
Role
alias
Source
HERB_v2
Preferred
No
Name
4,4'-Bianisole
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4'-DIMETHOXYBIPHENYL
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4'-DIMETHOXYBIPHENYL
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00008402
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00008402
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC17524
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC17524
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-(4-methoxyphenyl)anisole
Role
alias
Source
HERB_v2
Preferred
No
Name
p-(4-methoxyphenyl)anisole
Role
alias
Source
itcmdb_public
Preferred
No
Name
4, 4'-Dimethoxy-Biphenyl
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4, 4'-dimethoxy-biphenyl
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
1,1'-Biphenyl, 4,4'-dimethoxy-1-methoxy-4-(4-methoxyphenyl)benzene2132-80-14,4 inverted exclamation marka-Dimethoxybiphenyl4,4'-Bianisole4,4'-DIMETHOXYBIPHENYLMFCD00008402NSC17524p-(4-methoxyphenyl)anisole4, 4'-Dimethoxy-Biphenyl
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009941HBIN009943
Npass
NPC300166
Tcmid
4054040541
Sym Map
SMIT21432SMIT21420
Pub Chem
16484
Tcmbank
TCMBANKIN061839
Itcmdb Generated
ITX-INGREDIENT-13C5453EBB93ITX-INGREDIENT-D3FE003DAE35
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H14O2/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12/h3-10H,1-2H3
Mol Wt
214.264
Smiles
COC1=CC=C(C=C1)C2=CC=C(C=C2)OC
Mol Log P
3.370800000000002
Version
v2
In Ch Ikey
UIMPAOAAAYDUKQ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.779
Num Hacceptors
2
Isomeric Smiles
COC1=CC=C(C=C1)C2=CC=C(C=C2)OC
Canonical Smiles
COC1=CC=C(C=C1)C2=CC=C(C=C2)OC
Herb Alias Names
2132-80-14,4'-DIMETHOXYBIPHENYL1-methoxy-4-(4-methoxyphenyl)benzene1,1'-Biphenyl, 4,4'-dimethoxy-MFCD00008402NSC175244,4'-Bianisolep-(4-methoxyphenyl)anisole4,4 inverted exclamation marka-Dimethoxybiphenyl
Molecular Weight
214.26 g/mol
Molecular Formula
C14H14O2
Molecular Formula
C14H14O2
Num Rotatable Bonds
3