Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10384
- Core Entity Id
- 14703
- Source Entity Count
- 1
- Preferred Name
- Alpha-lindane
- Name En
- Pubchem Id
- 727
- Smiles Canonical
- C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
- Molecular Formula
- C6H6Cl6
- Molecular Weight
- 290.8320
- Inchikey
- JLYXXMFPNIAWKQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
- Isomeric Smiles
- C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
- Cas Id
- Ob Score
- Mol Logp
- 3.6444
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alpha-lindane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Alpha-lindane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,2,3,4,5,6-Hexachlorocyclohexane
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2,3,4,5,6-Hexachlorocyclohexane
Role
alias
Source
HERB_v2
Preferred
No
Name
58-89-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
58-89-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexachlorane
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexachlorane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kwell
Role
alias
Source
HERB_v2
Preferred
No
Name
Kwell
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-HCH
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-HCH
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-BHC
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-BHC
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-HCH
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-HCH
Role
alias
Source
itcmdb_public
Preferred
No
Name
gamma-BHC
Role
alias
Source
HERB_v2
Preferred
No
Name
gamma-BHC
Role
alias
Source
itcmdb_public
Preferred
No
Name
gamma-HCH
Role
alias
Source
HERB_v2
Preferred
No
Name
gamma-HCH
Role
alias
Source
itcmdb_public
Preferred
No
Name
lindane
Role
alias
Source
HERB_v2
Preferred
No
Name
lindane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Α-Lindane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
α-lindane
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
1,2,3,4,5,6-Hexachlorocyclohexane58-89-9HexachloraneKwellalpha-HCHbeta-BHCbeta-HCHgamma-BHCgamma-HCHlindaneΑ-Lindane
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015582
Npass
NPC175884
Tcmid
35858
Sym Map
SMIT27584
Pub Chem
727
Tcmbank
TCMBANKIN017939
Itcmdb Generated
ITX-INGREDIENT-9BA0B6334137
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
Mol Wt
290.832
Smiles
C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
Mol Log P
3.644400000000001
Version
v2
In Ch Ikey
JLYXXMFPNIAWKQ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.598
Num Hacceptors
0
Isomeric Smiles
C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
Canonical Smiles
C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
Herb Alias Names
lindanebeta-HCH1,2,3,4,5,6-Hexachlorocyclohexanealpha-HCH58-89-9gamma-HCHgamma-BHCbeta-BHCHexachloraneKwell
Molecular Formula
C6H6Cl6 or ClCH(CHCl)4CHCl
Molecular Formula
C6H6Cl6
Num Rotatable Bonds
0