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
- 4688
- Core Entity Id
- 8401
- Source Entity Count
- 1
- Preferred Name
- 3-methyl biphenyl
- Name En
- Pubchem Id
- 12564
- Smiles Canonical
- CC1=CC(=CC=C1)C2=CC=CC=C2
- Molecular Formula
- C13H12
- Molecular Weight
- 168.2390
- Inchikey
- NPDIDUXTRAITDE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3
- Isomeric Smiles
- CC1=CC(=CC=C1)C2=CC=CC=C2
- Cas Id
- Ob Score
- Mol Logp
- 3.6620
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-methyl biphenyl
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-methyl biphenyl
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-methyl biphenyl
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,1'-Biphenyl, 3-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,1'-Biphenyl, 3-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1-methyl-3-phenylbenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-methyl-3-phenylbenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methyl-1,1'biphenyl
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methyl-1,1'biphenyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methylbiphenyl
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methylbiphenyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methyldiphenyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methyldiphenyl
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Phenyltoluene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Phenyltoluene
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methylbiphenyl
Role
alias
Source
TCMBank
Preferred
No
Name
643-93-6
Role
alias
Source
HERB_v2
Preferred
No
Name
643-93-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
Biphenyl, 3-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Biphenyl, 3-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
m-Phenyltoluene
Role
alias
Source
HERB_v2
Preferred
No
Name
m-Phenyltoluene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,1'-Biphenyl, 3-methyl-1-methyl-3-phenylbenzene3-Methyl-1,1'biphenyl3-Methylbiphenyl3-Methyldiphenyl3-Phenyltoluene643-93-6Biphenyl, 3-methyl-m-Phenyltoluene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008908
Npass
NPC197946
Tcmid
3627537394
Pub Chem
12564
Tcmbank
TCMBANKIN000624
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3
Mol Wt
168.239
Smiles
CC1=CC(=CC=C1)C2=CC=CC=C2
Mol Log P
3.662020000000002
In Ch Ikey
NPDIDUXTRAITDE-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.609
Num Hacceptors
0
Isomeric Smiles
CC1=CC(=CC=C1)C2=CC=CC=C2
Canonical Smiles
CC1=CC(=CC=C1)C2=CC=CC=C2
Herb Alias Names
3-Methylbiphenyl643-93-63-Phenyltoluene1-methyl-3-phenylbenzene3-Methyl-1,1'biphenyl1,1'-Biphenyl, 3-methyl-3-METHYL-1,1'-BIPHENYL3-Methyldiphenylm-PhenyltolueneBiphenyl, 3-methyl-
Molecular Weight
168.23 g/mol
Molecular Formula
C13H12
Molecular Formula
C13H12
Num Rotatable Bonds
1