Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 3Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 338
- Core Entity Id
- 3191
- Source Entity Count
- 1
- Preferred Name
- 2,3,4,6-tetramethylphenol
- Name En
- Pubchem Id
- 76719
- Smiles Canonical
- CC1=CC(=C(C(=C1C)C)O)C
- Molecular Formula
- C10H14O
- Molecular Weight
- 150.2210
- Inchikey
- WEJVHFVGNQBRGH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H14O/c1-6-5-7(2)10(11)9(4)8(6)3/h5,11H,1-4H3
- Isomeric Smiles
- CC1=CC(=C(C(=C1C)C)O)C
- Cas Id
- 28449-98-1
- Ob Score
- 61.6210
- Mol Logp
- 2.6259
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3,4,6-Tetramethylphenol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,3,4,6-Tetramethylphenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,3,4,6-tetramethylphenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,3,4,6-tetramethylphenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3,4,6-tetramethylphenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3,4,6-tetramethylphenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
28449-98-1
Role
alias
Source
TCMBank
Preferred
No
Name
3238-38-8
Role
alias
Source
HERB_v2
Preferred
No
Name
3238-38-8
Role
alias
Source
TCMBank
Preferred
No
Name
3238-38-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID5062926
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID5062926
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 221-799-4
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 221-799-4
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 221-799-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C10H14O/c1-6-5-7(2)10(11)9(4)8(6)3/h5,11H,1-4H
Role
alias
Source
TCMBank
Preferred
No
Name
Isodurol
Role
alias
Source
HERB_v2
Preferred
No
Name
Isodurol
Role
alias
Source
itcmdb_public
Preferred
No
Name
O8267G3UF3
Role
alias
Source
HERB_v2
Preferred
No
Name
O8267G3UF3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 2,3,4,6-tetramethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 2,3,4,6-tetramethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL394530
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL394530
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-O8267G3UF3
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-O8267G3UF3
Role
alias
Source
itcmdb_public
Preferred
No
Name
isodurenol
Role
alias
Source
HERB_v2
Preferred
No
Name
isodurenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
phenol, 2,3,4,6-tetramethyl-
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
28449-98-13238-38-8DTXSID5062926EINECS 221-799-4InChI=1/C10H14O/c1-6-5-7(2)10(11)9(4)8(6)3/h5,11H,1-4HIsodurolO8267G3UF3Phenol, 2,3,4,6-tetramethyl-SCHEMBL394530UNII-O8267G3UF3isodurenol
Cross References
Trusted external identifiers retained for this final record.
Cas
28449-98-1
Herb
HBIN003858
Tcmsp
MOL005950
Sym Map
SMIT07635
Pub Chem
76719
Tcmbank
TCMBANKIN020854
Etcm Ingredient
2,3,4,6-tetramethylphenol
Itcmdb Generated
ITX-INGREDIENT-F41FA5F1B052
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H14O/c1-6-5-7(2)10(11)9(4)8(6)3/h5,11H,1-4H3
Mol Wt
150.221
Cas Id
28449-98-1
Smiles
CC1=CC(=C(C(=C1C)C)O)C
Mol Log P
2.62588
Version
v1,v2
In Ch Ikey
WEJVHFVGNQBRGH-UHFFFAOYSA-N
Ob Score
61.62161.6211785161.621179
Suppress
0
Num Hdonors
1
Drug Likeness
0.602
Num Hacceptors
1
Isomeric Smiles
CC1=CC(=C(C(=C1C)C)O)C
Molecule Weight
150.24
Canonical Smiles
CC1=CC(=C(C(=C1C)C)O)C
Herb Alias Names
isodurenolPhenol, 2,3,4,6-tetramethyl-Isodurol3238-38-8UNII-O8267G3UF3O8267G3UF3EINECS 221-799-4DTXSID5062926SCHEMBL394530
Molecular Weight
150.100
Molecular Weight
150.22
Molecular Formula
C10H14O
Molecular Formula
C10H14O
Molecular Formula
C10H14O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.830
Quantitative Estimate Of Drug Likeness（Qed）
0.602