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Herb: 2Ingredient: 1Target: 13Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1257
- Core Entity Id
- 4591
- Source Entity Count
- 1
- Preferred Name
- 2,6-dimethoxyquinol
- Name En
- Pubchem Id
- 96038
- Smiles Canonical
- COC1=CC(=CC(=C1O)OC)O
- Molecular Formula
- C8H10O4
- Molecular Weight
- 170.1640
- Inchikey
- GXAVBFNRWXCOPY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H10O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3
- Isomeric Smiles
- COC1=CC(=CC(=C1O)OC)O
- Cas Id
- 15233-65-5
- Ob Score
- 43.4270
- Mol Logp
- 1.1150
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,6-Dimethoxyquinol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,6-Dimethoxyquinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,6-Dimethoxyquinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,6-Dimethoxyquinol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,6-dimethoxyquinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,6-dimethoxyquinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,4-Benzenediol, 2,6-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-Benzenediol, 2,6-dimethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
1,4-Benzenediol, 2,6-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-Benzenediol, 2,6-dimethoxy- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
1,4-Dihydroxy-2,6-dimethoxybenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-Dihydroxy-2,6-dimethoxybenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-Dihydroxy-2,6-dimethoxybenzene
Role
alias
Source
TCMBank
Preferred
No
Name
15233-65-5
Role
alias
Source
HERB_v2
Preferred
No
Name
15233-65-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
15233-65-5
Role
alias
Source
TCMBank
Preferred
No
Name
2,6-Dimethoxy hydroquinone
Role
alias
Source
TCMBank
Preferred
No
Name
2,6-Dimethoxyhydroquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Dimethoxyhydroquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Dimethoxyhydroxyquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Dimethoxyhydroxyquinone
Role
alias
Source
TCMBank
Preferred
No
Name
2,6-Dimethoxyhydroxyquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-dimethoxybenzene-1,4-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-dimethoxybenzene-1,4-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-dimethoxybenzene-1,4-diol
Role
alias
Source
TCMBank
Preferred
No
Name
3,5-Dimethoxyhydroquinone
Role
alias
Source
TCMBank
Preferred
No
Name
3,5-Dimethoxyhydroquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-Dimethoxyhydroquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-06-00-07684 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
565032_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 1952669
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 239-282-7
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 239-282-7
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 239-282-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydroquinone, 2,6-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroquinone, 2,6-dimethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Hydroquinone, 2,6-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC49356
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: L6V DVJ BO1 FO1
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,4-Benzenediol, 2,6-dimethoxy-1,4-Benzenediol, 2,6-dimethoxy- (9CI)1,4-Dihydroxy-2,6-dimethoxybenzene15233-65-52,6-Dimethoxy hydroquinone2,6-Dimethoxyhydroquinone2,6-Dimethoxyhydroxyquinone2,6-dimethoxybenzene-1,4-diol3,5-Dimethoxyhydroquinone4-06-00-07684 (Beilstein Handbook Reference)565032_ALDRICHBRN 1952669EINECS 239-282-7Hydroquinone, 2,6-dimethoxy-NSC49356WLN: L6V DVJ BO1 FO1
Cross References
Trusted external identifiers retained for this final record.
Cas
15233-65-5
Herb
HBIN004906
Npass
NPC115097
Tcmsp
MOL001429
Sym Map
SMIT03855
Pub Chem
96038
Tcmbank
TCMBANKIN015328
Etcm Ingredient
2,6-Dimethoxyquinol
Itcmdb Generated
ITX-INGREDIENT-FECFEE2CDF14
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H10O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3
Mol Wt
170.164
Cas Id
15233-65-5
Smiles
COC1=CC(=CC(=C1O)OC)O
Mol Log P
1.115
Version
v1,v2
In Ch Ikey
GXAVBFNRWXCOPY-UHFFFAOYSA-N
Ob Score
43.42743.42701743.42701713
Suppress
0
Num Hdonors
2
Drug Likeness
0.653
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=CC(=C1O)OC)O
Molecule Weight
170.18
Canonical Smiles
COC1=CC(=CC(=C1O)OC)O
Herb Alias Names
2,6-dimethoxybenzene-1,4-diol15233-65-52,6-Dimethoxyhydroquinone1,4-Dihydroxy-2,6-dimethoxybenzene3,5-Dimethoxyhydroquinone1,4-Benzenediol, 2,6-dimethoxy-Hydroquinone, 2,6-dimethoxy-2,6-DimethoxyhydroxyquinoneEINECS 239-282-7
Molecular Weight
170.060
Molecular Weight
170.16
Molecular Formula
C8H10O4
Molecular Formula
C8H10O4
Molecular Formula
C8H10O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.310
Quantitative Estimate Of Drug Likeness（Qed）
0.653