Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 14Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 23727
- Core Entity Id
- 29559
- Source Entity Count
- 1
- Preferred Name
- Karenzu dk2
- Name En
- Pubchem Id
- 8433
- Smiles Canonical
- C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
- Molecular Formula
- C15H12O2
- Molecular Weight
- 224.2590
- Inchikey
- NZZIMKJIVMHWJC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
- Isomeric Smiles
- C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
- Cas Id
- 61346-73-4
- Ob Score
- 62.2570
- Mol Logp
- 3.1423
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5900
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Karenzu Dk2
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Karenzu DK2
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Karenzu DK2
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Karenzu Dk2
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Karenzu dk2
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Karenzu dk2
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
.omega.-Benzoylacetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
1,3-DIPHENYL-1,3-PROPANEDIONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-DIPHENYL-1,3-PROPANEDIONE
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-Diphenyl-1,3-propanedione
Role
alias
Source
TCMBank
Preferred
No
Name
1,3-Diphenylpropane-1,3-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Diphenylpropane-1,3-dione
Role
alias
Source
TCMBank
Preferred
No
Name
1,3-Diphenylpropane-1,3-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-Propanedione, 1,3-diphenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-Propanedione, 1,3-diphenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Propanedione, 1,3-diphenyl-
Role
alias
Source
TCMBank
Preferred
No
Name
120-46-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
120-46-7
Role
alias
Source
TCMBank
Preferred
No
Name
120-46-7
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Benzoylacetophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Benzoylacetophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Benzoylacetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
61346-73-4
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-19022
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS017990
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0514910
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_003550
Role
alias
Source
TCMBank
Preferred
No
Name
D33454_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
Dibenzoylmethane
Role
alias
Source
HERB_v2
Preferred
No
Name
Dibenzoylmethane
Role
alias
Source
TCMBank
Preferred
No
Name
Dibenzoylmethane
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 204-398-9
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_002841
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00095298-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00095298-02
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 6266
Role
alias
Source
TCMBank
Preferred
No
Name
Phenyl phenacyl ketone
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenyl phenacyl ketone
Role
alias
Source
TCMBank
Preferred
No
Name
Phenyl phenacyl ketone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rhodiastab 83
Role
alias
Source
HERB_v2
Preferred
No
Name
Rhodiastab 83
Role
alias
Source
TCMBank
Preferred
No
Name
Rhodiastab 83
Role
alias
Source
itcmdb_public
Preferred
No
Name
SPBio_000135
Role
alias
Source
TCMBank
Preferred
No
Name
SPECTRUM1505311
Role
alias
Source
TCMBank
Preferred
No
Name
ST5319429
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum2_000038
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_001950
Role
alias
Source
TCMBank
Preferred
No
Name
omega-Benzoylacetophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
omega-Benzoylacetophenone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
.omega.-Benzoylacetophenone1,3-DIPHENYL-1,3-PROPANEDIONE1,3-Diphenylpropane-1,3-dione1,3-Propanedione, 1,3-diphenyl-120-46-72-Benzoylacetophenone61346-73-4AI3-19022AIDS017990BRN 0514910BSPBio_003550D33454_ALDRICHDibenzoylmethaneEINECS 204-398-9KBio3_002841NCGC00095298-01NCGC00095298-02NSC 6266Phenyl phenacyl ketoneRhodiastab 83SPBio_000135SPECTRUM1505311ST5319429Spectrum2_000038Spectrum3_001950omega-Benzoylacetophenone
Cross References
Trusted external identifiers retained for this final record.
Cas
61346-73-4
Hit
C0013
Herb
HBIN032101
Npass
NPC273758
Tcmsp
MOL004837
Sym Map
SMIT06686
Pub Chem
8433
Tcmbank
TCMBANKIN016333
Etcm Ingredient
Karenzu DK2
Itcmdb Generated
ITX-INGREDIENT-E7CED6152C6C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
Mol Wt
224.259
Cas Id
61346-73-4
Smiles
C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
Mol Log P
3.142300000000001
Version
v1,v2
In Ch Ikey
NZZIMKJIVMHWJC-UHFFFAOYSA-N
Ob Score
62.25762.2572595662.25726
Suppress
0
Num Hdonors
0
Drug Likeness
0.59
Num Hacceptors
2
Isomeric Smiles
C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
Molecule Weight
224.27
Canonical Smiles
C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
Herb Alias Names
Dibenzoylmethane120-46-71,3-Diphenylpropane-1,3-dione1,3-DIPHENYL-1,3-PROPANEDIONE1,3-Propanedione, 1,3-diphenyl-2-BenzoylacetophenonePhenyl phenacyl ketoneRhodiastab 83omega-Benzoylacetophenone
Molecular Weight
224.080
Molecular Weight
224.25
Molecular Formula
C15H12O2
Molecular Formula
C15H12O2
Molecular Formula
C15H12O2
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.012
Quantitative Estimate Of Drug Likeness（Qed）
0.590