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
Herb: 6Ingredient: 1Target: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1031
- Core Entity Id
- 4341
- Source Entity Count
- 1
- Preferred Name
- 2,5-dimethoxybenzoquinone
- Name En
- Pubchem Id
- 101405
- Smiles Canonical
- COC1=CC(=O)C(=CC1=O)OC
- Molecular Formula
- C8H8O4
- Molecular Weight
- 168.1480
- Inchikey
- RMMPZDDLWLALLJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O4/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
- Isomeric Smiles
- COC1=CC(=O)C(=CC1=O)OC
- Cas Id
- 444561
- Ob Score
- 8.7210
- Mol Logp
- 0.1988
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,5-Dimethoxybenzoquinone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,5-dimethoxybenzoquinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,5-dimethoxybenzoquinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,5-DMBQ
Role
alias
Source
HERB_v2
Preferred
No
Name
2,5-DMBQ
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,5-Dimethoxy-1,4-benzoquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,5-Dimethoxy-1,4-benzoquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,5-Dimethoxy-4-benzoquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,5-Dimethoxy-4-benzoquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,5-Dimethoxy-p-benzoquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,5-Dimethoxy-p-benzoquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,5-dimethoxybenzo-1,4-quinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,5-dimethoxybenzo-1,4-quinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,5-dimethoxycyclohexa-2,5-diene-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
2,5-dimethoxycyclohexa-2,5-diene-1,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
3117-03-1
Role
alias
Source
HERB_v2
Preferred
No
Name
3117-03-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Thermophillin
Role
alias
Source
HERB_v2
Preferred
No
Name
Thermophillin
Role
alias
Source
itcmdb_public
Preferred
No
Name
XJL7OE03FS
Role
alias
Source
HERB_v2
Preferred
No
Name
XJL7OE03FS
Role
alias
Source
itcmdb_public
Preferred
No
Name
2_5-dimethoxy-p-benzoquinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,5-Cyclohexadiene-1,4-dione, 2,5-dimethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
2,5-Cyclohexadiene-1,4-dione, 2,5-dimethoxy- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-31839
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 509720
Role
alias
Source
TCMBank
Preferred
No
Name
p-Benzoquinone, 2,5-dimethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
p-Benzoquinone, 2,5-dimethoxy- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,5-DMBQ2,5-Dimethoxy-1,4-benzoquinone2,5-Dimethoxy-4-benzoquinone2,5-Dimethoxy-p-benzoquinone2,5-dimethoxybenzo-1,4-quinone2,5-dimethoxycyclohexa-2,5-diene-1,4-dione3117-03-1ThermophillinXJL7OE03FS2_5-dimethoxy-p-benzoquinone2,5-Cyclohexadiene-1,4-dione, 2,5-dimethoxy-2,5-Cyclohexadiene-1,4-dione, 2,5-dimethoxy- (9CI)AI3-31839NSC 509720p-Benzoquinone, 2,5-dimethoxy-p-Benzoquinone, 2,5-dimethoxy- (8CI)
Cross References
Trusted external identifiers retained for this final record.
Cas
3117-03-1
Herb
HBIN004642HBIN004645HBIN004646
Npass
NPC106547
Tcmid
4068840689
Tcmsp
MOL003171
Sym Map
SMIT05295
Tcm Id
21398
Pub Chem
101405
Tcmbank
TCMBANKIN006248TCMBANKIN061809
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H8O4/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
Mol Wt
168.148
Cas Id
444561
Smiles
COC1=CC(=O)C(=CC1=O)OC
Mol Log P
0.1987999999999999
Version
v1,v2
In Ch Ikey
RMMPZDDLWLALLJ-UHFFFAOYSA-N
Ob Score
8.7218.721436037
Suppress
0
Num Hdonors
0
Drug Likeness
0.552
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=O)C(=CC1=O)OC
Molecule Weight
168.16
Canonical Smiles
COC1=CC(=O)C(=CC1=O)OC
Herb Alias Names
2,5-Dimethoxy-1,4-benzoquinone3117-03-12,5-dimethoxybenzo-1,4-quinone2,5-dimethoxycyclohexa-2,5-diene-1,4-dioneThermophillin2,5-Dimethoxy-4-benzoquinone2,5-Dimethoxy-p-benzoquinoneXJL7OE03FS2,5-DMBQ
Molecular Weight
0168.15 g/mol
Molecular Formula
C8H8O4
Molecular Formula
C8H8O4
Num Rotatable Bonds
2