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
Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14903
- Core Entity Id
- 19729
- Source Entity Count
- 1
- Preferred Name
- Clofibrate
- Name En
- Pubchem Id
- 2796
- Smiles Canonical
- CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl
- Molecular Formula
- C12H15ClO3
- Molecular Weight
- 242.7020
- Inchikey
- KNHUKKLJHYUCFP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
- Isomeric Smiles
- CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl
- Cas Id
- Ob Score
- Mol Logp
- 3.0605
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Clofibrate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Clofibrate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
clofibrate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
637-07-0
Role
alias
Source
HERB_v2
Preferred
No
Name
637-07-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
Atromid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Atromid
Role
alias
Source
HERB_v2
Preferred
No
Name
Atromid-S
Role
alias
Source
itcmdb_public
Preferred
No
Name
Atromid-S
Role
alias
Source
HERB_v2
Preferred
No
Name
Clofibrato
Role
alias
Source
itcmdb_public
Preferred
No
Name
Clofibrato
Role
alias
Source
HERB_v2
Preferred
No
Name
Clofibratum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Clofibratum
Role
alias
Source
HERB_v2
Preferred
No
Name
EPIB
Role
alias
Source
itcmdb_public
Preferred
No
Name
EPIB
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl clofibrate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl clofibrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Liprin
Role
alias
Source
HERB_v2
Preferred
No
Name
Liprin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
637-07-0AtromidAtromid-SClofibratoClofibratumEPIBEthyl 2-(4-chlorophenoxy)-2-methylpropanoateEthyl clofibrateLiprin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021137
Npass
NPC331425
Tcm Id
1449815337
Pub Chem
2796
Tcmbank
TCMBANKIN024036
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
Mol Wt
242.702
Smiles
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl
Mol Log P
3.060500000000002
In Ch Ikey
KNHUKKLJHYUCFP-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.762
Num Hacceptors
3
Isomeric Smiles
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl
Canonical Smiles
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl
Herb Alias Names
637-07-0Ethyl 2-(4-chlorophenoxy)-2-methylpropanoateEthyl clofibrateAtromid-SAtromidLiprinClofibratumClofibratoEPIB
Molecular Weight
242.7 g/mol
Molecular Formula
C12H15ClO3
Molecular Formula
C12H15ClO3
Num Rotatable Bonds
4