Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1232
- Core Entity Id
- 4563
- Source Entity Count
- 1
- Preferred Name
- 2,6-cresotaldehyde
- Name En
- Pubchem Id
- 585174
- Smiles Canonical
- CC1=C(C(=CC=C1)O)C=O
- Molecular Formula
- C8H8O2
- Molecular Weight
- 136.1500
- Inchikey
- ZRUOTKQBVMWMDK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O2/c1-6-3-2-4-8(10)7(6)5-9/h2-5,10H,1H3
- Isomeric Smiles
- CC1=C(C(=CC=C1)O)C=O
- Cas Id
- 362-36-2
- Ob Score
- 25.3720
- Mol Logp
- 1.5131
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,6-Cresotaldehyde
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,6-Cresotaldehyde
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,6-Cresotaldehyde
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,6-Cresotaldehyde
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,6-cresotaldehyde
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,6-cresotaldehyde
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
18362-36-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
18362-36-2
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxy-6-methylbenzaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxy-6-methylbenzaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-hydroxy-6-methylbenzaldehyde
Role
alias
Source
TCMBank
Preferred
No
Name
6-Methylsalicylaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Methylsalicylaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzaldehyde, 2-hydroxy-6-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzaldehyde, 2-hydroxy-6-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzaldehyde, 2-hydroxy-6-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30342864
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30342864
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD16038308
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD16038308
Role
alias
Source
HERB_v2
Preferred
No
Name
m-cresol formaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
m-cresolformaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
18362-36-22-Hydroxy-6-methylbenzaldehyde6-MethylsalicylaldehydeBenzaldehyde, 2-hydroxy-6-methyl-DTXSID30342864MFCD16038308m-cresol formaldehydem-cresolformaldehyde
Cross References
Trusted external identifiers retained for this final record.
Cas
362-36-2
Herb
HBIN004869
Tcmsp
MOL008446
Sym Map
SMIT09738
Pub Chem
585174
Tcmbank
TCMBANKIN016469
Etcm Ingredient
2,6-Cresotaldehyde
Itcmdb Generated
ITX-INGREDIENT-DF0F125B665B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H8O2/c1-6-3-2-4-8(10)7(6)5-9/h2-5,10H,1H3
Mol Wt
136.1499999999999
Cas Id
362-36-2
Smiles
CC1=C(C(=CC=C1)O)C=O
Mol Log P
1.51312
Version
v1,v2
In Ch Ikey
ZRUOTKQBVMWMDK-UHFFFAOYSA-N
Ob Score
25.37225.37230925.37230948
Suppress
0
Num Hdonors
1
Drug Likeness
0.594
Num Hacceptors
2
Isomeric Smiles
CC1=C(C(=CC=C1)O)C=O
Molecule Weight
136.16
Canonical Smiles
CC1=C(C(=CC=C1)O)C=O
Herb Alias Names
2-Hydroxy-6-methylbenzaldehyde18362-36-26-MethylsalicylaldehydeBenzaldehyde, 2-hydroxy-6-methyl-MFCD16038308DTXSID303428642-hydroxy-6-methyl-benzaldehydem-cresolformaldehydem-cresol formaldehyde
Molecular Weight
136.050
Molecular Weight
136.15 g/mol
Molecular Formula
C8H8O2
Molecular Formula
C8H8O2
Molecular Formula
C8H8O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.629
Quantitative Estimate Of Drug Likeness（Qed）
0.594