Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 3Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3401
- Core Entity Id
- 6966
- Source Entity Count
- 1
- Preferred Name
- Veratryl alcohol
- Name En
- Pubchem Id
- 7118
- Smiles Canonical
- COC1=C(C=C(C=C1)CO)OC
- Molecular Formula
- C9H12O3
- Molecular Weight
- 168.1920
- Inchikey
- OEGPRYNGFWGMMV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3
- Isomeric Smiles
- COC1=C(C=C(C=C1)CO)OC
- Cas Id
- 1993-03-08
- Ob Score
- 71.4890
- Mol Logp
- 1.1961
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Veratryl Alcohol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3,4-dimethoxybenzyl alcohol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,4-dimethoxybenzyl alcohol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Benzenemethanol,3,4-dimethoxy
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Veratryl Alcohol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Veratryl alcohol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Veratryl alcohol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Veratryl alcohol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(3,4-Dimethoxyphenyl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3,4-Dimethoxyphenyl)methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3,4-dimethoxyphenyl)methanol
Role
alias
Source
TCMBank
Preferred
No
Name
3,4-Dimethoxybenzyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
3,4-Dimethoxybenzyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-Dimethoxybenzyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Dimethoxyphenylmethyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
3,4-Dimethoxyphenylmethyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-Dimethoxyphenylmethyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-dimethoxybenzenemethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-dimethoxybenzenemethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
38700_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
93-03-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
93-03-8
Role
alias
Source
HERB_v2
Preferred
No
Name
93-03-8
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-24181
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, 3,4-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzenemethanol, 3,4-dimethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, 3,4-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
D133000_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 202-212-0
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00004638
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00004638
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC6317
Role
alias
Source
TCMBank
Preferred
No
Name
ST5406387
Role
alias
Source
TCMBank
Preferred
No
Name
VERATRYL ALCOHOL
Role
alias
Source
HERB_v2
Preferred
No
Name
VERATRYL ALCOHOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
Veratryl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Veratryl alcohol (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00388569
Role
alias
Source
TCMBank
Preferred
No
Name
dimethoxybenzyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
dimethoxybenzyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
veratrole alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
veratrole alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,4-dimethoxybenzyl alcoholBenzenemethanol,3,4-dimethoxy(3,4-Dimethoxyphenyl)methanol3,4-Dimethoxyphenylmethyl alcohol3,4-dimethoxybenzenemethanol38700_FLUKA93-03-8AI3-24181Benzenemethanol, 3,4-dimethoxy-D133000_ALDRICHEINECS 202-212-0MFCD00004638NSC6317ST5406387Veratryl alcohol (8CI)ZINC00388569dimethoxybenzyl alcoholveratrole alcohol
Cross References
Trusted external identifiers retained for this final record.
Cas
93-03-8
Herb
HBIN007431HBIN017767HBIN047817
Npass
NPC111031
Tcmid
3281340362
Tcmsp
MOL004711
Sym Map
SMIT06576
Pub Chem
7118
Tcmbank
TCMBANKIN061514
Etcm Ingredient
Veratryl alcohol
Itcmdb Generated
ITX-INGREDIENT-988458D7DFE7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3
Mol Wt
168.192
Smiles
COC1=C(C=C(C=C1)CO)OC
Mol Log P
1.1961
Version
v1,v2
In Ch Ikey
OEGPRYNGFWGMMV-UHFFFAOYSA-N
Ob Score
71.48971.48912871.48912805
Suppress
0
Num Hdonors
1
Drug Likeness
0.737
Num Hacceptors
3
Isomeric Smiles
COC1=C(C=C(C=C1)CO)OC
Molecule Weight
168.21
Canonical Smiles
COC1=C(C=C(C=C1)CO)OC
Herb Alias Names
93-03-8(3,4-Dimethoxyphenyl)methanolVERATRYL ALCOHOLBenzenemethanol, 3,4-dimethoxy-3,4-Dimethoxyphenylmethyl alcoholveratrole alcoholMFCD000046383,4-dimethoxybenzenemethanoldimethoxybenzyl alcohol
Molecular Weight
168.080
Molecular Weight
168.19 g/mol
Molecular Formula
C9H12O3
Molecular Formula
C9H12O3
Molecular Formula
C9H12O3
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.737