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
- 4655
- Core Entity Id
- 8365
- Source Entity Count
- 1
- Preferred Name
- Fuseloel
- Name En
- Pubchem Id
- 18705522
- Smiles Canonical
- CC(C)CC[O-].CC(C)CC[O-].[Mg+2]
- Molecular Formula
- C5H12O
- Molecular Weight
- 88.1500
- Inchikey
- PHTQWCKDNZKARW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
- Isomeric Smiles
- CC(C)CCO
- Cas Id
- 123-51-3
- Ob Score
- 65.6659
- Mol Logp
- 1.0248
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5340
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fuseloel
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-Methyl-1-Butanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-methyl-1-butanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-methyl-1-butanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fuseloel
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fuseloel
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Fuseloel
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Fuseloel
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-Butanol, 3-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
1-Butanol, 3-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Butanol, 3-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-HYDROXY-3-METHYLBUTANE
Role
alias
Source
TCMBank
Preferred
No
Name
123-51-3
Role
alias
Source
TCMBank
Preferred
No
Name
123-51-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
123-51-3
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methyl-4-butanol
Role
alias
Source
TCMBank
Preferred
No
Name
277584_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
3-METHYL-BUTAN-(1)-OL
Role
alias
Source
TCMBank
Preferred
No
Name
3-Methyl-1-butanol
Role
alias
Source
TCMBank
Preferred
No
Name
3-Methyl-1-butanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methyl-1-butanol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methylbutan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methylbutan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methylbutanol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methylbutanol
Role
alias
Source
TCMBank
Preferred
No
Name
3-Methylbutanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Metil-butanolo
Role
alias
Source
TCMBank
Preferred
No
Name
3-Metil-butanolo [Italian]
Role
alias
Source
TCMBank
Preferred
No
Name
309435_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
320021_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
59085_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
59090_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
59092_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
6423-06-9
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-15288
Role
alias
Source
TCMBank
Preferred
No
Name
Alcool amilico
Role
alias
Source
TCMBank
Preferred
No
Name
Alcool amilico [Italian]
Role
alias
Source
TCMBank
Preferred
No
Name
Alcool isoamylique
Role
alias
Source
TCMBank
Preferred
No
Name
Alcool isoamylique [French]
Role
alias
Source
TCMBank
Preferred
No
Name
Amylowy alkohol
Role
alias
Source
TCMBank
Preferred
No
Name
Amylowy alkohol [Polish]
Role
alias
Source
TCMBank
Preferred
No
Name
C07328
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:15837
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 204-633-5
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 2057
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA Number 2057
Role
alias
Source
TCMBank
Preferred
No
Name
Fermentation amyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Fusel Oil
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 605
Role
alias
Source
TCMBank
Preferred
No
Name
Huile de fusel
Role
alias
Source
TCMBank
Preferred
No
Name
I9392_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
IP3
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H
Role
alias
Source
TCMBank
Preferred
No
Name
Iso-amyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Iso-amylalkohol [German]
Role
alias
Source
TCMBank
Preferred
No
Name
Isoamyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoamyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isoamyl alcohol (natural)
Role
alias
Source
TCMBank
Preferred
No
Name
Isoamyl alcohol (primary and secondary)
Role
alias
Source
TCMBank
Preferred
No
Name
Isoamyl alcohol, primary
Role
alias
Source
TCMBank
Preferred
No
Name
Isoamyl alkohol
Role
alias
Source
TCMBank
Preferred
No
Name
Isoamyl alkohol [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
Isoamylol
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoamylol
Role
alias
Source
TCMBank
Preferred
No
Name
Isoamylol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isobutyl carbinol
Role
alias
Source
TCMBank
Preferred
No
Name
Isobutylcarbinol
Role
alias
Source
HERB_v2
Preferred
No
Name
Isobutylcarbinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isopentanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Isopentanol
Role
alias
Source
TCMBank
Preferred
No
Name
Isopentanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isopentyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Isopentyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Isopentyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isopentyl alcohol (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
M32658_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 1029
Role
alias
Source
TCMBank
Preferred
No
Name
NSC7905
Role
alias
Source
TCMBank
Preferred
No
Name
Primary isoamyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
W205702_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
W205710_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: Q2Y1 & 1
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00896830
Role
alias
Source
TCMBank
Preferred
No
Name
i-Amyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
isopentan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-Methyl-1-Butanol1-Butanol, 3-methyl-1-HYDROXY-3-METHYLBUTANE123-51-32-Methyl-4-butanol277584_ALDRICH3-METHYL-BUTAN-(1)-OL3-Methylbutan-1-ol3-Methylbutanol3-Metil-butanolo3-Metil-butanolo [Italian]309435_ALDRICH320021_SIAL59085_FLUKA59090_FLUKA59092_FLUKA6423-06-9AI3-15288Alcool amilicoAlcool amilico [Italian]Alcool isoamyliqueAlcool isoamylique [French]Amylowy alkoholAmylowy alkohol [Polish]C07328CHEBI:15837EINECS 204-633-5FEMA No. 2057FEMA Number 2057Fermentation amyl alcoholFusel OilHSDB 605Huile de fuselI9392_SIGMAIP3InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2HIso-amyl alcoholIso-amylalkohol [German]Isoamyl alcoholIsoamyl alcohol (natural)Isoamyl alcohol (primary and secondary)Isoamyl alcohol, primaryIsoamyl alkoholIsoamyl alkohol [Czech]IsoamylolIsobutyl carbinolIsobutylcarbinolIsopentanolIsopentyl alcoholIsopentyl alcohol (8CI)M32658_SIALNSC 1029NSC7905Primary isoamyl alcoholW205702_ALDRICHW205710_ALDRICHWLN: Q2Y1 & 1ZINC00896830i-Amyl alcoholisopentan-1-ol
Cross References
Trusted external identifiers retained for this final record.
Cas
123-51-3
Herb
HBIN008866HBIN026938
Npass
NPC256186
Tcmid
1121524204353883652437988
Tcmsp
MOL003877
Sym Map
SMIT02047SMIT05884SMIT15975
Tcm Id
8049
Pub Chem
1870552231260
Tcmbank
TCMBANKIN012543
Drug Bank
DB02296
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
Mol Wt
88.14999999999999
Cas Id
123-51-3
Smiles
CC(C)CC[O-].CC(C)CC[O-].[Mg+2]
Mol Log P
1.0248
Version
v1,v2
In Ch Ikey
PHTQWCKDNZKARW-UHFFFAOYSA-N
Ob Score
65.6659149765.66591565.666
Suppress
0
Num Hdonors
1
Drug Likeness
0.534
Num Hacceptors
1
Isomeric Smiles
CC(C)CCO
Molecule Weight
88.148888.17
Canonical Smiles
CC(C)CCO
Herb Alias Names
Isoamyl alcoholIsopentyl alcohol3-Methylbutan-1-ol123-51-3Isopentanol3-Methylbutanol1-Butanol, 3-methyl-IsoamylolIsobutylcarbinol
Molecular Weight
88.15
Molecule Formula
C5H12O
Molecular Formula
C5H12O
Molecular Formula
C5H12O
Num Rotatable Bonds
2