Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36353
- Core Entity Id
- 43601
- Source Entity Count
- 1
- Preferred Name
- Veratric acid
- Name En
- Pubchem Id
- 7121
- Smiles Canonical
- COC1=C(C=C(C=C1)C(=O)O)OC
- Molecular Formula
- C9H10O4
- Molecular Weight
- 182.1750
- Inchikey
- DAUAQNGYDSHRET-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
- Isomeric Smiles
- COC1=C(C=C(C=C1)C(=O)O)OC
- Cas Id
- 34152
- Ob Score
- 58.7746
- Mol Logp
- 1.4020
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
VERATRIC ACID
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
VERATRIC ACID
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Veratric Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Veratric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Veratric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,4-Dimethoxy-benzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-Dimethoxybenzoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
3,4-Dimethoxybenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Dimethylprotocatechuic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-Dimethylprotocatechuic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Dimethylprotocatechuic acid
Role
alias
Source
TCMBank
Preferred
No
Name
4-10-00-01460 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
93-07-2
Role
alias
Source
TCMBank
Preferred
No
Name
93-07-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
93-07-2
Role
alias
Source
HERB_v2
Preferred
No
Name
94872_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS018091
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0518285
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_003267
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoic acid, 3,4-dimethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoic acid, 3,4-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoic acid, 3,4-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
D131806_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
Dimethylprotocatechuic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Dimethylprotocatechuic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Dimethylprotocatechuic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 202-215-7
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_000992
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_003560
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_006128
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_002768
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_002164
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_000992
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00002500
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00002500
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00095539-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 7721
Role
alias
Source
TCMBank
Preferred
No
Name
SDCCGMLS-0066972.P001
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_001124
Role
alias
Source
TCMBank
Preferred
No
Name
SPECTRUM212140
Role
alias
Source
TCMBank
Preferred
No
Name
ST5213870
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum2_001082
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_001774
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum4_001582
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum5_000264
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_000512
Role
alias
Source
TCMBank
Preferred
No
Name
Veratrumenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Veratrumenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Veratrylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Veratrylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,4-Dimethoxy-benzoic acid3,4-Dimethoxybenzoic acid3,4-Dimethylprotocatechuic acid4-10-00-01460 (Beilstein Handbook Reference)93-07-294872_FLUKAAIDS018091BRN 0518285BSPBio_003267Benzoic acid, 3,4-dimethoxy-D131806_ALDRICHDimethylprotocatechuic acidEINECS 202-215-7InChI=1/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11KBio2_000992KBio2_003560KBio2_006128KBio3_002768KBioGR_002164KBioSS_000992MFCD00002500NCGC00095539-01NSC 7721SDCCGMLS-0066972.P001SPBio_001124SPECTRUM212140ST5213870Spectrum2_001082Spectrum3_001774Spectrum4_001582Spectrum5_000264Spectrum_000512Veratrumenoic acidVeratrylic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
93-07-2
Herb
HBIN007430HBIN047810
Npass
NPC285776
Tcmid
247893977640363403646200
Tcmsp
MOL007276
Sym Map
SMIT08744SMIT15147SMIT18698
Tcm Id
8281
Pub Chem
7121
Tcmbank
TCMBANKIN061467
Etcm Ingredient
VERATRIC ACID
Itcmdb Generated
ITX-INGREDIENT-F93642F93D5D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
Mol Wt
182.175
Cas Id
34152
Smiles
COC1=C(C=C(C=C1)C(=O)O)OC
Mol Log P
1.402
Version
v1,v2
In Ch Ikey
DAUAQNGYDSHRET-UHFFFAOYSA-N
Ob Score
58.77464358.7746430258.775
Suppress
0
Num Hdonors
1
Drug Likeness
0.767
Num Hacceptors
3
Isomeric Smiles
COC1=C(C=C(C=C1)C(=O)O)OC
Molecule Weight
182.19
Canonical Smiles
COC1=C(C=C(C=C1)C(=O)O)OC
Herb Alias Names
3,4-Dimethoxybenzoic acid93-07-2Benzoic acid, 3,4-dimethoxy-Dimethylprotocatechuic acidVeratrylic acid3,4-Dimethylprotocatechuic acidVeratrumenoic acid3,4-Dimethoxy-benzoic acidMFCD00002500
Molecular Weight
182.060
Molecular Weight
182.17 g/mol
Molecular Formula
C9H10O4
Molecular Formula
C9H10O4
Molecular Formula
C9H10O4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.012
Quantitative Estimate Of Drug Likeness（Qed）
0.767