Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12182
- Core Entity Id
- 16708
- Source Entity Count
- 1
- Preferred Name
- Bzq
- Name En
- Pubchem Id
- 3102
- Smiles Canonical
- C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
- Molecular Formula
- C13H10O
- Molecular Weight
- 182.2220
- Inchikey
- RWCCWEUUXYIKHB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
- Isomeric Smiles
- C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
- Cas Id
- 119-61-9
- Ob Score
- 58.6230
- Mol Logp
- 2.9176
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Bzq
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Benzophenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Benzophenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Bzq
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Bzq
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Bzq
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
benzophenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
benzophenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
.alpha.-Oxoditane
Role
alias
Source
TCMBank
Preferred
No
Name
119-61-9
Role
alias
Source
TCMBank
Preferred
No
Name
119-61-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
119-61-9
Role
alias
Source
HERB_v2
Preferred
No
Name
239852_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
427551_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
442842_SUPELCO
Role
alias
Source
TCMBank
Preferred
No
Name
73664_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-00754
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-017932
Role
alias
Source
TCMBank
Preferred
No
Name
B9300_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
BENZOPHENONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
BENZOPHENONE
Role
alias
Source
HERB_v2
Preferred
No
Name
BENZOPHENONE (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
BENZOPHENONE (DIPHENYL-KETONE)
Role
alias
Source
TCMBank
Preferred
No
Name
BZQ
Role
alias
Source
TCMBank
Preferred
No
Name
Benzene, benzoyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzene, benzoyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzene, benzoyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzophenone
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoylbenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoylbenzene
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoylbenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
C06354
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 629
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:41308
Role
alias
Source
TCMBank
Preferred
No
Name
Caswell No. 081G
Role
alias
Source
TCMBank
Preferred
No
Name
Diphenyl ketone
Role
alias
Source
TCMBank
Preferred
No
Name
Diphenyl ketone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diphenyl ketone
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 204-337-6
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 000315
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 2134
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 6809
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10
Role
alias
Source
TCMBank
Preferred
No
Name
Ketone, diphenyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ketone, diphenyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Ketone, diphenyl
Role
alias
Source
TCMBank
Preferred
No
Name
METHANONE, DIPHENYL- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Methanone, diphenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methanone, diphenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Methanone, diphenyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Mettler Toledo Calibration substance ME 18870, Benzophenone
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00090787-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00090787-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00090787-04
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 8077
Role
alias
Source
TCMBank
Preferred
No
Name
Phenyl ketone
Role
alias
Source
TCMBank
Preferred
No
Name
Phenyl ketone
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenyl ketone
Role
alias
Source
itcmdb_public
Preferred
No
Name
ST5214455
Role
alias
Source
TCMBank
Preferred
No
Name
UPCMLD-DP071:001
Role
alias
Source
TCMBank
Preferred
No
Name
W213403_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: RVR
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00968233
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Oxodiphenylmethane
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Oxoditane
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Oxoditane
Role
alias
Source
HERB_v2
Preferred
No
Name
di(phenyl)methanone
Role
alias
Source
TCMBank
Preferred
No
Name
diphenylmethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
diphenylmethanone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Benzophenone.alpha.-Oxoditane119-61-9239852_SIAL427551_ALDRICH442842_SUPELCO73664_FLUKAAI3-00754AIDS-017932B9300_SIALBENZOPHENONE (8CI)BENZOPHENONE (DIPHENYL-KETONE)Benzene, benzoyl-BenzoylbenzeneC06354CCRIS 629CHEBI:41308Caswell No. 081GDiphenyl ketoneEINECS 204-337-6EPA Pesticide Chemical Code 000315FEMA No. 2134HSDB 6809InChI=1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10Ketone, diphenylMETHANONE, DIPHENYL- (9CI)Methanone, diphenyl-Mettler Toledo Calibration substance ME 18870, BenzophenoneNCGC00090787-01NCGC00090787-03NCGC00090787-04NSC 8077Phenyl ketoneST5214455UPCMLD-DP071:001W213403_ALDRICHWLN: RVRZINC00968233alpha-Oxodiphenylmethanealpha-Oxoditanedi(phenyl)methanonediphenylmethanone
Cross References
Trusted external identifiers retained for this final record.
Cas
119-61-9
Hit
C1167
Herb
HBIN017801HBIN019200
Npass
NPC213575NPC273033
Tcmid
33499
Tcmsp
MOL013062
Sym Map
SMIT13761
Pub Chem
3102
Tcmbank
TCMBANKIN058289
Drug Bank
DB01878
Etcm Ingredient
benzophenone
Itcmdb Generated
ITX-INGREDIENT-9D1B441D93A5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Mol Wt
182.222
Smiles
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Mol Log P
2.917600000000001
Version
v1,v2
In Ch Ikey
RWCCWEUUXYIKHB-UHFFFAOYSA-N
Ob Score
58.62358.6232646458.623265
Suppress
0
Num Hdonors
0
Drug Likeness
0.652
Num Hacceptors
1
Isomeric Smiles
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Molecule Weight
182.23
Canonical Smiles
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Herb Alias Names
119-61-9diphenylmethanoneDiphenyl ketoneMethanone, diphenyl-BenzoylbenzenePhenyl ketoneKetone, diphenylalpha-OxoditaneBenzene, benzoyl-
Molecular Weight
182.070
Molecular Weight
182.22 g/mol
Molecular Formula
C13H10O
Molecular Formula
C13H10O
Molecular Formula
C13H10O
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.029
Quantitative Estimate Of Drug Likeness（Qed）
0.652