Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7258
- Core Entity Id
- 11249
- Source Entity Count
- 1
- Preferred Name
- 5-undecen-4-one
- Name En
- Pubchem Id
- 5371437
- Smiles Canonical
- CCCCCC=CC(=O)CCC
- Molecular Formula
- C11H20O
- Molecular Weight
- 168.2800
- Inchikey
- RNSXATQSBDUWTH-CSKARUKUSA-N
- Inchi
- InChI=1S/C11H20O/c1-3-5-6-7-8-10-11(12)9-4-2/h8,10H,3-7,9H2,1-2H3/b10-8+
- Isomeric Smiles
- CCCCC/C=C/C(=O)CCC
- Cas Id
- 56312-55-1
- Ob Score
- 21.6000
- Mol Logp
- 3.4921
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.4200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Undecen-4-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5-UNDECEN-4-ONE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5-UNDECEN-4-ONE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-Undecen-4-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5-undecen-4-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-undecen-4-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(5E)-5-Undecen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
(5E)-5-Undecen-4-one #
Role
alias
Source
itcmdb_public
Preferred
No
Name
(5E)-5-Undecen-4-one #
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-undec-5-en-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
56312-55-1
Role
alias
Source
HERB_v2
Preferred
No
Name
56312-55-1
Role
alias
Source
TCMBank
Preferred
No
Name
56312-55-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
RNSXATQSBDUWTH-CSKARUKUSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
RNSXATQSBDUWTH-CSKARUKUSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4422070
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4422070
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(5E)-5-Undecen-4-one(5E)-5-Undecen-4-one #(E)-undec-5-en-4-one56312-55-1RNSXATQSBDUWTH-CSKARUKUSA-NSCHEMBL4422070
Cross References
Trusted external identifiers retained for this final record.
Cas
56312-55-1
Herb
HBIN011957
Tcmsp
MOL003490
Sym Map
SMIT05551
Pub Chem
5371437
Tcmbank
TCMBANKIN007527
Etcm Ingredient
5-UNDECEN-4-ONE
Itcmdb Generated
ITX-INGREDIENT-20B6EFD35860
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H20O/c1-3-5-6-7-8-10-11(12)9-4-2/h8,10H,3-7,9H2,1-2H3/b10-8+
Mol Wt
168.2799999999999
Cas Id
56312-55-1
Smiles
CCCCCC=CC(=O)CCC
Mol Log P
3.492100000000002
Version
v1,v2
In Ch Ikey
RNSXATQSBDUWTH-CSKARUKUSA-N
Ob Score
21.621.6003107921.600311
Suppress
0
Num Hdonors
0
Drug Likeness
0.42
Num Hacceptors
1
Isomeric Smiles
CCCCC/C=C/C(=O)CCC
Molecule Weight
168.31
Canonical Smiles
CCCCCC=CC(=O)CCC
Herb Alias Names
56312-55-1SCHEMBL4422070(5E)-5-Undecen-4-one #RNSXATQSBDUWTH-CSKARUKUSA-N
Molecular Weight
168.150
Molecular Weight
168.28
Molecular Formula
C11H20O
Molecular Formula
C11H20O
Molecular Formula
C11H20O
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.019
Quantitative Estimate Of Drug Likeness（Qed）
0.420