Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3782
- Core Entity Id
- 7390
- Source Entity Count
- 1
- Preferred Name
- 3-aldehyde-6-methyl-2,4-dihydroxy-ethyl-benzoate
- Name En
- Pubchem Id
- 3940691
- Smiles Canonical
- CCOC(=O)C1=C(C(=C(C=C1C)O)C=O)O
- Molecular Formula
- C11H12O5
- Molecular Weight
- 224.2120
- Inchikey
- HUXJGSHUVDWZAM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H12O5/c1-3-16-11(15)9-6(2)4-8(13)7(5-12)10(9)14/h4-5,13-14H,3H2,1-2H3
- Isomeric Smiles
- CCOC(=O)C1=C(C(=C(C=C1C)O)C=O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.3954
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Aldehyde-6-methyl-2,4-dihydroxy-ethyl-benzoate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-aldehyde-6-methyl-2,4-dihydroxy-ethyl-benzoate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-aldehyde-6-methyl-2,4-dihydroxy-ethyl-benzoate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
金丝刷
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIN SI SHUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Gold-wire Brush*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
39503-14-5
Role
alias
Source
HERB_v2
Preferred
No
Name
39503-14-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, ethyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, ethyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl haematommate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl haematommate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl hematommate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl hematommate
Role
alias
Source
HERB_v2
Preferred
No
Name
HAEMATOMMIC ACID, ETHYL ESTER
Role
alias
Source
HERB_v2
Preferred
No
Name
HAEMATOMMIC ACID, ETHYL ESTER
Role
alias
Source
itcmdb_public
Preferred
No
Name
SpecPlus_000064
Role
alias
Source
itcmdb_public
Preferred
No
Name
SpecPlus_000064
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum2_000629
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spectrum2_000629
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum3_000886
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spectrum3_000886
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum4_000978
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum4_000978
Role
alias
Source
itcmdb_public
Preferred
No
Name
ethyl 3-formyl-2,4-dihydroxy-6-methylbenzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
ethyl 3-formyl-2,4-dihydroxy-6-methylbenzoate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
金丝刷JIN SI SHUAGold-wire Brush*39503-14-5Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, ethyl esterEthyl haematommateEthyl hematommateHAEMATOMMIC ACID, ETHYL ESTERSpecPlus_000064Spectrum2_000629Spectrum3_000886Spectrum4_000978ethyl 3-formyl-2,4-dihydroxy-6-methylbenzoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007887
Npass
NPC37530
Tcmid
873
Pub Chem
3940691
Tcmbank
TCMBANKIN048404
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H12O5/c1-3-16-11(15)9-6(2)4-8(13)7(5-12)10(9)14/h4-5,13-14H,3H2,1-2H3
Mol Wt
224.212
Mol Log P
1.395419999999999
In Ch Ikey
HUXJGSHUVDWZAM-UHFFFAOYSA-N
Tcm Name
金丝刷
Tcm Name2
JIN SI SHUA
Mol2 Path
/TCM_database/2007_3d_all/00873.mol2
Reference
4582
Num Hdonors
2
Tcm Name En
Gold-wire Brush*
Drug Likeness
0.598
Num Hacceptors
5
Isomeric Smiles
CCOC(=O)C1=C(C(=C(C=C1C)O)C=O)O
Canonical Smiles
CCOC(=O)C1=C(C(=C(C=C1C)O)C=O)O
Herb Alias Names
Ethyl hematommateethyl 3-formyl-2,4-dihydroxy-6-methylbenzoate39503-14-5HAEMATOMMIC ACID, ETHYL ESTEREthyl haematommateSpecPlus_000064Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, ethyl esterSpectrum2_000629Spectrum3_000886Spectrum4_000978
Molecular Formula
C11H12O5
Num Rotatable Bonds
3