Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5536
- Core Entity Id
- 9345
- Source Entity Count
- 1
- Preferred Name
- 4-(3,4-dimethoxyphenyl)-but-1,3-diene
- Name En
- Pubchem Id
- 71444602
- Smiles Canonical
- COC1=C(C=C(C=C1)C=CC=C)OC
- Molecular Formula
- C12H14O2
- Molecular Weight
- 190.2420
- Inchikey
- JFHQUUYHTBVHHK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H14O2/c1-4-5-6-10-7-8-11(13-2)12(9-10)14-3/h4-9H,1H2,2-3H3
- Isomeric Smiles
- COC1=C(C=C(C=C1)C=CC=C)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.9030
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-(3,4-Dimethoxyphenyl)-but-1,3-diene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-(3,4-Dimethoxyphenyl)-but-1,3-diene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-(3,4-dimethoxyphenyl)-but-1,3-diene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-(3,4-dimethoxyphenyl)-but-1,3-diene
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
4-(Buta-1,3-dien-1-yl)-1,2-dimethoxybenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(Buta-1,3-dien-1-yl)-1,2-dimethoxybenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
4-buta-1,3-dienyl-1,2-dimethoxybenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-buta-1,3-dienyl-1,2-dimethoxybenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
56633-34-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
56633-34-2
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID00804106
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID00804106
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90853365
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90853365
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
野姜YE JIANGCassumuna Ginger*4-(Buta-1,3-dien-1-yl)-1,2-dimethoxybenzene4-buta-1,3-dienyl-1,2-dimethoxybenzene56633-34-2DTXCID00804106DTXSID90853365
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009900
Tcmid
6276
Pub Chem
71444602
Tcmbank
TCMBANKIN042918
Etcm Ingredient
4-(3,4-Dimethoxyphenyl)-but-1,3-diene
Itcmdb Generated
ITX-INGREDIENT-418BA18F3974
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H14O2/c1-4-5-6-10-7-8-11(13-2)12(9-10)14-3/h4-9H,1H2,2-3H3
Mol Wt
190.242
Mol Log P
2.903000000000001
In Ch Ikey
JFHQUUYHTBVHHK-UHFFFAOYSA-N
Tcm Name
野姜
Tcm Name2
YE JIANG
Mol2 Path
/TCM_database/2007_3d_all/06277.mol2
Reference
4081, 4532
Num Hdonors
0
Tcm Name En
Cassumuna Ginger*
Drug Likeness
0.68
Num Hacceptors
2
Isomeric Smiles
COC1=C(C=C(C=C1)C=CC=C)OC
Canonical Smiles
COC1=C(C=C(C=C1)C=CC=C)OC
Herb Alias Names
56633-34-2DTXSID908533654-(Buta-1,3-dien-1-yl)-1,2-dimethoxybenzene4-buta-1,3-dienyl-1,2-dimethoxybenzeneDTXCID00804106
Molecular Weight
190.100
Molecular Weight
190.24 g/mol
Molecular Formula
C12H14O2
Molecular Formula
C12H14O2
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.255
Quantitative Estimate Of Drug Likeness（Qed）
0.680