Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 10Ingredient: 1Meta-analysis: 2Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12736
- Core Entity Id
- 17327
- Source Entity Count
- 1
- Preferred Name
- Bnl
- Name En
- Pubchem Id
- 7095
- Smiles Canonical
- C1=CC=C(C=C1)C2=CC=CC=C2
- Molecular Formula
- C12H10
- Molecular Weight
- 154.2120
- Inchikey
- ZUOUZKKEUPVFJK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
- Isomeric Smiles
- C1=CC=C(C=C1)C2=CC=CC=C2
- Cas Id
- 92-51-3
- Ob Score
- 29.7920
- Mol Logp
- 3.3536
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Biphenyl
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Bnl
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Phph
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
BNL
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Biphenyl
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Biphenyl
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Biphenyl
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Biphenyl
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Bnl
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Bnl
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Bnl
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Phph
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Phph
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Phph
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,1'-Bicyclohexyl
Role
alias
Source
TCMBank
Preferred
No
Name
1,1'-Biphenyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,1'-Biphenyl
Role
alias
Source
HERB_v2
Preferred
No
Name
1,1'-Biphenyl, dodecahydro-
Role
alias
Source
TCMBank
Preferred
No
Name
1,1'-Diphenyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,1'-Diphenyl
Role
alias
Source
HERB_v2
Preferred
No
Name
92-51-3
Role
alias
Source
TCMBank
Preferred
No
Name
92-52-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
92-52-4
Role
alias
Source
HERB_v2
Preferred
No
Name
AI3-01174
Role
alias
Source
TCMBank
Preferred
No
Name
Bibenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bibenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
Bicyclohexane
Role
alias
Source
TCMBank
Preferred
No
Name
Bicyclohexyl
Role
alias
Source
TCMBank
Preferred
No
Name
Biphenyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
Biphenyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclohexane, cyclohexyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclohexylcyclohexane
Role
alias
Source
TCMBank
Preferred
No
Name
D79403_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
DIPHENYL
Role
alias
Source
HERB_v2
Preferred
No
Name
DIPHENYL
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dicyclohexane
Role
alias
Source
TCMBank
Preferred
No
Name
Dicyclohexyl
Role
alias
Source
TCMBank
Preferred
No
Name
Dodecahydrobiphenyl
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 202-161-4
Role
alias
Source
TCMBank
Preferred
No
Name
Lemonene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lemonene
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC59855
Role
alias
Source
TCMBank
Preferred
No
Name
Phenador-X
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenador-X
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenylbenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenylbenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
ST5405531
Role
alias
Source
TCMBank
Preferred
No
Name
Xenene
Role
alias
Source
HERB_v2
Preferred
No
Name
Xenene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
BiphenylPhph1,1'-Bicyclohexyl1,1'-Biphenyl1,1'-Biphenyl, dodecahydro-1,1'-Diphenyl92-51-392-52-4AI3-01174BibenzeneBicyclohexaneBicyclohexylCyclohexane, cyclohexyl-CyclohexylcyclohexaneD79403_ALDRICHDIPHENYLDicyclohexaneDicyclohexylDodecahydrobiphenylEINECS 202-161-4LemoneneNSC59855Phenador-XPhenylbenzeneST5405531Xenene
Cross References
Trusted external identifiers retained for this final record.
Cas
81846-81-392-51-3
Hit
C1190
Herb
HBIN018538HBIN018689HBIN039636
Npass
NPC113670NPC48792NPC7777
Tcmid
32936
Tcmsp
MOL003056MOL004655
Sym Map
SMIT05192SMIT06540SMIT22641
Pub Chem
7095
Tcmbank
TCMBANKIN058323
Etcm Ingredient
Biphenyl
Itcmdb Generated
ITX-INGREDIENT-4C32C8BE1CD0ITX-INGREDIENT-BE487F5A93E2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
Mol Wt
154.212
Smiles
C1=CC=C(C=C1)C2=CC=CC=C2
Mol Log P
3.353600000000002
Version
v1,v2v2
In Ch Ikey
ZUOUZKKEUPVFJK-UHFFFAOYSA-N
Ob Score
29.79229.7920233741.29541.2952405241.295241
Suppress
0
Num Hdonors
0
Drug Likeness
0.591
Num Hacceptors
0
Isomeric Smiles
C1=CC=C(C=C1)C2=CC=CC=C2
Molecule Weight
154.22166.34
Canonical Smiles
C1=CC=C(C=C1)C2=CC=CC=C2
Herb Alias Names
1,1'-Biphenyl92-52-4PhenylbenzeneDIPHENYL1,1'-DiphenylBibenzeneXenenePhenador-XLemonene
Molecular Weight
154.080
Molecular Weight
166.3
Molecular Formula
C12H10
Molecular Formula
C12H22
Molecular Formula
C12H10
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.043
Quantitative Estimate Of Drug Likeness（Qed）
0.591