Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 7Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18674
- Core Entity Id
- 23934
- Source Entity Count
- 1
- Preferred Name
- Ethyl-2,4-dihydroxy-6-methylbenzoate
- Name En
- Pubchem Id
- 75653
- Smiles Canonical
- CCOC(=O)C1=C(C=C(C=C1C)O)O
- Molecular Formula
- C10H12O4
- Molecular Weight
- 196.2020
- Inchikey
- UQSRXQMIXSZGLA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H12O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h4-5,11-12H,3H2,1-2H3
- Isomeric Smiles
- CCOC(=O)C1=C(C=C(C=C1C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.5829
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ethyl-2,4-Dihydroxy-6-Methylbenzoate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ethyl-2,4-dihydroxy-6-methylbenzoate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ethyl-2,4-dihydroxy-6-methylbenzoate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
.beta.-Resorcylic acid, 6-methyl-, ethyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
.beta.-Resorcylic acid, 6-methyl-, ethyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4-Dihydroxy-6-methylbenzoic Acid Ethyl Ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-Dihydroxy-6-methylbenzoic Acid Ethyl Ester
Role
alias
Source
HERB_v2
Preferred
No
Name
2524-37-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
2524-37-0
Role
alias
Source
HERB_v2
Preferred
No
Name
3035H4GP23
Role
alias
Source
itcmdb_public
Preferred
No
Name
3035H4GP23
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl 2,4-dihydroxy-6-methylbenzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl 2,4-dihydroxy-6-methylbenzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl orsellinate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl orsellinate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Orsellinic acid, ethyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Orsellinic acid, ethyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-3035H4GP23
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-3035H4GP23
Role
alias
Source
itcmdb_public
Preferred
No
Name
o-Orsellinic acid, ethyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
o-Orsellinic acid, ethyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
ethyl-2,4-dihydroxy-6-methylbenzoate;ethyl orsellinate
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
.beta.-Resorcylic acid, 6-methyl-, ethyl ester2,4-Dihydroxy-6-methylbenzoic Acid Ethyl Ester2524-37-03035H4GP23Benzoic acid, 2,4-dihydroxy-6-methyl-, ethyl esterEthyl 2,4-dihydroxy-6-methylbenzoateEthyl orsellinateOrsellinic acid, ethyl esterUNII-3035H4GP23o-Orsellinic acid, ethyl esterethyl-2,4-dihydroxy-6-methylbenzoate;ethyl orsellinate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025852HBIN025964
Npass
NPC153783
Tcmid
3684240650
Sym Map
SMIT23871
Pub Chem
75653
Tcmbank
TCMBANKIN061253
Itcmdb Generated
ITX-INGREDIENT-D651681F207A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H12O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h4-5,11-12H,3H2,1-2H3
Mol Wt
196.202
Smiles
CCOC(=O)C1=C(C=C(C=C1C)O)O
Mol Log P
1.58292
Version
v2
In Ch Ikey
UQSRXQMIXSZGLA-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.705
Num Hacceptors
4
Isomeric Smiles
CCOC(=O)C1=C(C=C(C=C1C)O)O
Canonical Smiles
CCOC(=O)C1=C(C=C(C=C1C)O)O
Herb Alias Names
Ethyl 2,4-dihydroxy-6-methylbenzoate2524-37-0Ethyl orsellinateOrsellinic acid, ethyl esterBenzoic acid, 2,4-dihydroxy-6-methyl-, ethyl estero-Orsellinic acid, ethyl ester2,4-Dihydroxy-6-methylbenzoic Acid Ethyl EsterUNII-3035H4GP23.beta.-Resorcylic acid, 6-methyl-, ethyl ester3035H4GP23
Molecular Weight
196.2 g/mol
Molecular Formula
C10H12O4
Molecular Formula
C10H12O4
Num Rotatable Bonds
2