Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 6Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38911
- Core Entity Id
- 68773
- Source Entity Count
- 1
- Preferred Name
- 1,6-dimethylnaphthalene
- Name En
- Pubchem Id
- 11328
- Smiles Canonical
- CC1=CC2=CC=CC(=C2C=C1)C
- Molecular Formula
- C12H12
- Molecular Weight
- 156.2280
- Inchikey
- CBMXCNPQDUJNHT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3
- Isomeric Smiles
- CC1=CC2=CC=CC(=C2C=C1)C
- Cas Id
- 575-43-9
- Ob Score
- 11.6940
- Mol Logp
- 3.4566
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,6-Dimethylnaphthalene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,6-Dimethylnaphthalene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,6-dimethyl-naphthalene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,6-dimethylnaphthalene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,6-dimethylnaphthalene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,6- Dimethylnaphthalene
Role
alias
Source
TCMBank
Preferred
No
Name
1,6-DMN
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6-DMN
Role
alias
Source
HERB_v2
Preferred
No
Name
1,6-Dimethyl-Naphthalene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6-Dimethyl-Naphthalene
Role
alias
Source
HERB_v2
Preferred
No
Name
250937_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
40808_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
45785_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
575-43-9
Role
alias
Source
HERB_v2
Preferred
No
Name
575-43-9
Role
alias
Source
TCMBank
Preferred
No
Name
575-43-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-17608
Role
alias
Source
TCMBank
Preferred
No
Name
C14217
Role
alias
Source
TCMBank
Preferred
No
Name
DXN13WI5EY
Role
alias
Source
HERB_v2
Preferred
No
Name
DXN13WI5EY
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 209-385-1
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 209-385-1
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 209-385-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
HSDB 6024
Role
alias
Source
HERB_v2
Preferred
No
Name
HSDB 6024
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 6024
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00091292-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 52966
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 52966
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC52966
Role
alias
Source
TCMBank
Preferred
No
Name
Naphthalene, 1,6-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Naphthalene, 1,6-dimethyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Naphthalene, 1,6-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Naphthalene, 1,6-dimethyl- (8CI)(9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-DXN13WI5EY
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-DXN13WI5EY
Role
alias
Source
itcmdb_public
Preferred
No
Name
WLN: L66J B1 H1
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,6-dimethyl-naphthalene1,6- Dimethylnaphthalene1,6-DMN250937_ALDRICH40808_FLUKA45785_RIEDEL575-43-9AI3-17608C14217DXN13WI5EYEINECS 209-385-1HSDB 6024NCGC00091292-01NSC 52966NSC52966Naphthalene, 1,6-dimethyl-Naphthalene, 1,6-dimethyl- (8CI)(9CI)UNII-DXN13WI5EYWLN: L66J B1 H1
Cross References
Trusted external identifiers retained for this final record.
Cas
575-43-9
Herb
HBIN001883
Npass
NPC135433
Tcmid
2424440478
Tcmsp
MOL005605
Sym Map
SMIT07334SMIT18561
Tcm Id
9485
Pub Chem
11328
Tcmbank
TCMBANKIN026692
Etcm Ingredient
1,6-dimethyl-naphthalene
Itcmdb Generated
ITX-INGREDIENT-9DF44F5113D8
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3
Mol Wt
156.228
Cas Id
575-43-9
Smiles
CC1=CC2=CC=CC(=C2C=C1)C
Mol Log P
3.456640000000002
Version
v1,v2
In Ch Ikey
CBMXCNPQDUJNHT-UHFFFAOYSA-N
Ob Score
11.69411.69445511.69445535
Suppress
0
Num Hdonors
0
Drug Likeness
0.548
Num Hacceptors
0
Isomeric Smiles
CC1=CC2=CC=CC(=C2C=C1)C
Molecule Weight
156.24
Canonical Smiles
CC1=CC2=CC=CC(=C2C=C1)C
Herb Alias Names
575-43-9Naphthalene, 1,6-dimethyl-HSDB 60241,6-DMNUNII-DXN13WI5EY1,6-Dimethyl-NaphthaleneDXN13WI5EYEINECS 209-385-1NSC 52966
Molecular Weight
156.090
Molecular Weight
156.22
Molecular Formula
C12H12
Molecular Formula
C12H12
Molecular Formula
C12H12
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.578
Quantitative Estimate Of Drug Likeness（Qed）
0.548