Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3460
- Core Entity Id
- 7032
- Source Entity Count
- 1
- Preferred Name
- 3-(4-methylpent-3-enyl)thiophene
- Name En
- Pubchem Id
- 566107
- Smiles Canonical
- CC(=CCCC1=CSC=C1)C
- Molecular Formula
- C10H14S
- Molecular Weight
- 166.2890
- Inchikey
- UAGFAMQTBLSQSU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H14S/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3
- Isomeric Smiles
- CC(=CCCC1=CSC=C1)C
- Cas Id
- Ob Score
- 38.1417
- Mol Logp
- 3.6469
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-(4-Methylpent-3-Enyl)Thiophene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-(4-Methylpent-3-Enyl)Thiophene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-(4-Methylpent-3-enyl)thiophene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-(4-methylpent-3-enyl)thiophene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-(4-methylpent-3-enyl)thiophene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-(4-Methyl-3-pentenyl)thiophene
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-Methyl-3-pentenyl)thiophene
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-Methyl-3-pentenyl)thiophene #
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(4-methyl-pent-3-enyl)-thiophene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(4-methylpent-3-en-1-yl)thiophene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(4-methylpent-3-en-1-yl)thiophene
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-methylpent-3-enyl) thiophene
Role
alias
Source
HERB_v2
Preferred
No
Name
62429-57-6
Role
alias
Source
HERB_v2
Preferred
No
Name
62429-57-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:166584
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:166584
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60340616
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60340616
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL9438495
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9438495
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-(4-Methyl-3-pentenyl)thiophene3-(4-Methyl-3-pentenyl)thiophene #3-(4-methyl-pent-3-enyl)-thiophene3-(4-methylpent-3-en-1-yl)thiophene3-(4-methylpent-3-enyl) thiophene62429-57-6CHEBI:166584DTXSID60340616SCHEMBL9438495
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007505
Tcmsp
MOL012384
Sym Map
SMIT13142
Pub Chem
566107
Tcmbank
TCMBANKIN034843
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H14S/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3
Mol Wt
166.289
Smiles
CC(=CCCC1=CSC=C1)C
Mol Log P
3.646900000000003
Version
v1
In Ch Ikey
UAGFAMQTBLSQSU-UHFFFAOYSA-N
Ob Score
38.1416959738.14169638.142
Suppress
1
Num Hdonors
0
Drug Likeness
0.601
Num Hacceptors
1
Isomeric Smiles
CC(=CCCC1=CSC=C1)C
Molecule Weight
166.31
Canonical Smiles
CC(=CCCC1=CSC=C1)C
Herb Alias Names
3-(4-Methyl-3-pentenyl)thiophene62429-57-6SCHEMBL9438495DTXSID60340616CHEBI:1665843-(4-methylpent-3-enyl) thiophene3-(4-methyl-pent-3-enyl)-thiophene3-(4-Methyl-3-pentenyl)thiophene #3-(4-methylpent-3-en-1-yl)thiophene
Molecular Weight
166.29 g/mol
Molecular Formula
C10H14S
Molecular Formula
C10H14S
Num Rotatable Bonds
3