Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17769
- Core Entity Id
- 22922
- Source Entity Count
- 1
- Preferred Name
- (e)-4-(3,4-dimethoxyphenyl)-but-3-en-1-ol
- Name En
- Pubchem Id
- 6439118
- Smiles Canonical
- COC1=C(C=C(C=C1)C=CCCO)OC
- Molecular Formula
- C12H16O3
- Molecular Weight
- 208.2570
- Inchikey
- HJXARZMWFOEQTO-HWKANZROSA-N
- Inchi
- InChI=1S/C12H16O3/c1-14-11-7-6-10(5-3-4-8-13)9-12(11)15-2/h3,5-7,9,13H,4,8H2,1-2H3/b5-3+
- Isomeric Smiles
- COC1=C(C=C(C=C1)/C=C/CCO)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.0994
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-4-(3,4-Dimethoxyphenyl)-but-3-en-1-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(E)-4-(3,4-Dimethoxyphenyl)-but-3-en-1-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(e)-4-(3,4-dimethoxyphenyl)-but-3-en-1-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(e)-4-(3,4-dimethoxyphenyl)-but-3-en-1-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
野姜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YE JIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cassumuna Ginger*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(E)-4-(3,4-dimethoxyphenyl)but-3-en-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-4-(3,4-dimethoxyphenyl)but-3-en-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Buten-1-ol, 4-(3,4-dimethoxyphenyl)-, (3E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Buten-1-ol, 4-(3,4-dimethoxyphenyl)-, (3E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(3',4'-Dimethoxyphenyl)but-3-en-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(3',4'-Dimethoxyphenyl)but-3-en-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(3,4-Dimethoxyphenyl)-3-buten-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(3,4-Dimethoxyphenyl)-3-buten-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
69768-97-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
69768-97-4
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS022184721
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS022184721
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dmp-butenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Dmp-butenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N1873
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N1873
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2684387
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2684387
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4092723
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4092723
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
野姜YE JIANGCassumuna Ginger*(E)-4-(3,4-dimethoxyphenyl)but-3-en-1-ol3-Buten-1-ol, 4-(3,4-dimethoxyphenyl)-, (3E)-4-(3',4'-Dimethoxyphenyl)but-3-en-1-ol4-(3,4-Dimethoxyphenyl)-3-buten-1-ol69768-97-4AKOS022184721Dmp-butenolHY-N1873SCHEMBL2684387SCHEMBL4092723
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024705
Tcmid
6278
Pub Chem
6439118
Tcmbank
TCMBANKIN044421
Etcm Ingredient
(E)-4-(3,4-Dimethoxyphenyl)-but-3-en-1-ol
Itcmdb Generated
ITX-INGREDIENT-054904470B46
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H16O3/c1-14-11-7-6-10(5-3-4-8-13)9-12(11)15-2/h3,5-7,9,13H,4,8H2,1-2H3/b5-3+
Mol Wt
208.2569999999999
Mol Log P
2.0994
In Ch Ikey
HJXARZMWFOEQTO-HWKANZROSA-N
Tcm Name
野姜
Tcm Name2
YE JIANG
Mol2 Path
/TCM_database/2007_3d_all/06279.mol2
Reference
4532
Num Hdonors
1
Tcm Name En
Cassumuna Ginger*
Drug Likeness
0.805
Num Hacceptors
3
Isomeric Smiles
COC1=C(C=C(C=C1)/C=C/CCO)OC
Canonical Smiles
COC1=C(C=C(C=C1)C=CCCO)OC
Herb Alias Names
69768-97-44-(3,4-Dimethoxyphenyl)-3-buten-1-ol(E)-4-(3,4-dimethoxyphenyl)but-3-en-1-ol4-(3',4'-Dimethoxyphenyl)but-3-en-1-olDmp-butenol3-Buten-1-ol, 4-(3,4-dimethoxyphenyl)-, (3E)-SCHEMBL2684387SCHEMBL4092723HY-N1873AKOS022184721
Molecular Weight
208.110
Molecular Weight
208.25 g/mol
Molecular Formula
C12H16O3
Molecular Formula
C12H16O3
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.032
Quantitative Estimate Of Drug Likeness（Qed）
0.805