IngredientID 17780

(e)-5-decenol

C10H20O

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Herb: 1Ingredient: 1Target: 1Links: 3
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
17780
Core Entity Id
22934
Source Entity Count
1
Preferred Name
(e)-5-decenol
Name En
Pubchem Id
5283292
Smiles Canonical
CCCCC=CCCCCO
Molecular Formula
C10H20O
Molecular Weight
156.2690
Inchikey
WYPQHXVMNVEVEB-AATRIKPKSA-N
Inchi
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h5-6,11H,2-4,7-10H2,1H3/b6-5+
Isomeric Smiles
CCCC/C=C/CCCCO
Cas Id
56578-18-8
Ob Score
29.7838
Mol Logp
2.8954
Num H Donors
1
Num H Acceptors
1
Num Rotatable Bonds
7
Drug Likeness
0.4440
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
(E)-5-Decenol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(E)-5-Decenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-5-Decenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(E)-5-Decenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(e)-5-decenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(e)-5-decenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(E)-5-Decen-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-5-Decen-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-5-Decen-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-dec-5-en-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-dec-5-en-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-dec-5-en-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
284726_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
5-Decen-1-ol, (5E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Decen-1-ol, (5E)-
Role
alias
Source
TCMBank
Preferred
No
Name
5-Decen-1-ol, (5E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Decen-1-ol, (E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Decen-1-ol, (E)-
Role
alias
Source
TCMBank
Preferred
No
Name
5-Decen-1-ol, (E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-decen-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
5-decen-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-decen-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
56578-18-8
Role
alias
Source
HERB_v2
Preferred
No
Name
56578-18-8
Role
alias
Source
TCMBank
Preferred
No
Name
56578-18-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-34645
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 260-267-6
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 078038
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA05000042
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00164122-01
Role
alias
Source
TCMBank
Preferred
No
Name
SBB008885
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC02169460
Role
alias
Source
TCMBank
Preferred
No
Name
dec-5-en-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
decan-5-en-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
decan-5-en-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
decan-5-en-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-5-Decen-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-5-Decen-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
trans-5-Decen-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-5-Decenol
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-5-Decenol
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(E)-5-Decen-1-ol(E)-dec-5-en-1-ol284726_ALDRICH5-Decen-1-ol, (5E)-5-Decen-1-ol, (E)-5-decen-1-ol56578-18-8AI3-34645EINECS 260-267-6EPA Pesticide Chemical Code 078038LMFA05000042NCGC00164122-01SBB008885ZINC02169460dec-5-en-1-oldecan-5-en-1-oltrans-5-Decen-1-oltrans-5-Decenol

Cross References

Trusted external identifiers retained for this final record.

Cas
56578-18-8
Herb
HBIN024717
Tcmsp
MOL010618
Sym Map
SMIT11637
Pub Chem
5283292
Tcmbank
TCMBANKIN012443
Etcm Ingredient
(E)-5-Decenol
Itcmdb Generated
ITX-INGREDIENT-53F38709A6AB

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h5-6,11H,2-4,7-10H2,1H3/b6-5+
Mol Wt
156.269
Cas Id
56578-18-8
Smiles
CCCCC=CCCCCO
Mol Log P
2.895400000000002
Version
v1,v2
In Ch Ikey
WYPQHXVMNVEVEB-AATRIKPKSA-N
Ob Score
29.7837926729.78379329.784
Suppress
0
Num Hdonors
1
Drug Likeness
0.444
Num Hacceptors
1
Isomeric Smiles
CCCC/C=C/CCCCO
Molecule Weight
156.3
Canonical Smiles
CCCCC=CCCCCO
Herb Alias Names
trans-5-Decen-1-ol56578-18-8(E)-5-Decen-1-ol(E)-dec-5-en-1-oltrans-5-Decenol5-Decen-1-ol, (5E)-5-Decen-1-ol, (E)-5-decen-1-oldecan-5-en-1-ol
Molecular Weight
156.150
Molecular Weight
156.27
Molecular Formula
C10H20O
Molecular Formula
C10H20O
Molecular Formula
C10H20O
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness(Qed)
0.444