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: 1Ingredient: 1Target: 4Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 694
- Core Entity Id
- 3964
- Source Entity Count
- 1
- Preferred Name
- 2,4,6-tri-t-butyl phenol
- Name En
- 2,4,6-Tri-tert-butylphenol
- Pubchem Id
- 12902
- Smiles Canonical
- CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
- Molecular Formula
- C18H30O
- Molecular Weight
- 262.4370
- Inchikey
- PFEFOYRSMXVNEL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3
- Isomeric Smiles
- CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.2847
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4,6-tri-t-butyl phenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4,6-tri-t-butyl phenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,4,6-tri-t-butyl phenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4,6-Tri-t-butylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4,6-Tri-t-butylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,6-Tri-tert-butylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4,6-Tri-tert-butylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,6-Tris(1,1-dimethylethyl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4,6-Tris(1,1-dimethylethyl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,6-Tris(tert-butyl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,6-Tris(tert-butyl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
732-26-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
732-26-3
Role
alias
Source
HERB_v2
Preferred
No
Name
Alkofen B
Role
alias
Source
HERB_v2
Preferred
No
Name
Alkofen B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 2,4,6-tri-tert-butyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 2,4,6-tri-tert-butyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 2,4,6-tris(1,1-dimethylethyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 2,4,6-tris(1,1-dimethylethyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Voidox
Role
alias
Source
itcmdb_public
Preferred
No
Name
Voidox
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,4,6-Tri-t-butylphenol2,4,6-Tri-tert-butylphenol2,4,6-Tris(1,1-dimethylethyl)phenol2,4,6-Tris(tert-butyl)phenol732-26-3Alkofen BPhenol, 2,4,6-tri-tert-butyl-Phenol, 2,4,6-tris(1,1-dimethylethyl)-Voidox
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004258
Tcmid
21534
Pub Chem
12902
Tcmbank
TCMBANKIN047228
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3
Mol Wt
262.437
Smiles
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Mol Log P
5.284700000000006
In Ch Ikey
PFEFOYRSMXVNEL-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/21550.mol2
Reference
660
Num Hdonors
1
Drug Likeness
0.674
Num Hacceptors
1
Isomeric Smiles
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Canonical Smiles
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Herb Alias Names
2,4,6-Tri-tert-butylphenol732-26-3Alkofen BVoidox2,4,6-Tris(tert-butyl)phenol2,4,6-tritert-butylphenolPhenol, 2,4,6-tris(1,1-dimethylethyl)-2,4,6-Tri-t-butylphenolPhenol, 2,4,6-tri-tert-butyl-2,4,6-Tris(1,1-dimethylethyl)phenol
Molecular Weight
262.4 g/mol
Molecular Formula
C18H30O
Molecular Formula
C18H30O
Num Rotatable Bonds
0