Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 1Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1779
- Core Entity Id
- 5165
- Source Entity Count
- 1
- Preferred Name
- 2-decenal
- Name En
- Pubchem Id
- 19801
- Smiles Canonical
- CCCCCCCC=CC=O
- Molecular Formula
- C10H18O
- Molecular Weight
- 154.2530
- Inchikey
- MMFCJPPRCYDLLZ-CMDGGOBGSA-N
- Inchi
- InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3
- Isomeric Smiles
- CCCCCCC/C=C/C=O
- Cas Id
- 2497-25-8
- Ob Score
- 18.5477
- Mol Logp
- 3.1020
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.3130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Decenal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-decenal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-decenal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dec-2-Enal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dec-2-enal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dec-2-enal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
dec-2-enal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2- Decenal,(E)-
Role
TCM_name
Source
TCMBank
Preferred
No
Name
(e)-2-decenal
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
trans-2-decenal
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(E)-2-Decenal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-2-Decenal
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-Dec-2-enal
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-Dec-2-enal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-2-decen-1-al
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-2-decen-1-al
Role
alias
Source
HERB_v2
Preferred
No
Name
2,2-decadienal
Role
alias
Source
HERB_v2
Preferred
No
Name
2,2-decadienal
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-DECENAL
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-DECENAL
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Decen-1-al
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Decen-1-al
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Decenal, (2E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Decenal, (2E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-decenaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
2-decenaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Heptylacrolein
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Heptylacrolein
Role
alias
Source
HERB_v2
Preferred
No
Name
3913-71-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
3913-71-1
Role
alias
Source
HERB_v2
Preferred
No
Name
3913-81-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
3913-81-3
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:61727
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:61727
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID8052065
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID8052065
Role
alias
Source
HERB_v2
Preferred
No
Name
Decenaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
Decenaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epitope ID:143641
Role
alias
Source
HERB_v2
Preferred
No
Name
Epitope ID:143641
Role
alias
Source
itcmdb_public
Preferred
No
Name
decenal
Role
alias
Source
itcmdb_public
Preferred
No
Name
decenal
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-2-Decenal
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-2-Decenal
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Dec-2-Enal2- Decenal,(E)-(e)-2-decenaltrans-2-decenal(E)-Dec-2-enal(Z)-2-decen-1-al2,2-decadienal2-Decen-1-al2-Decenal, (2E)-2-decenaldehyde3-Heptylacrolein3913-71-13913-81-3CHEBI:61727DTXSID8052065DecenaldehydeEpitope ID:143641decenal
Cross References
Trusted external identifiers retained for this final record.
Cas
2497-25-83913-81-3
Herb
HBIN005517HBIN005518HBIN022885HBIN024628HBIN046643
Npass
NPC245735NPC67920
Tcmid
2503027966389763926740944
Tcmsp
MOL000120MOL003443
Sym Map
SMIT02789SMIT05508SMIT18755
Tcm Id
4438668
Pub Chem
1980152833455354834
Tcmbank
TCMBANKIN060934
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+
Mol Wt
154.253
Cas Id
2497-25-8
Smiles
CCCCCCCC=CC=O
Mol Log P
3.102000000000002
Version
v1,v2
In Ch Ikey
MMFCJPPRCYDLLZ-CMDGGOBGSA-NMMFCJPPRCYDLLZ-UHFFFAOYSA-N
Ob Score
18.54769718.5476973218.54818.5635058818.564
Suppress
0
Tcm Name
2- Decenal,(E)-
Tcm Name2
(e)-2-decenal
Num Hdonors
0
Tcm Name En
trans-2-decenal
Drug Likeness
0.313
Num Hacceptors
1
Isomeric Smiles
CCCCCCC/C=C/C=OCCCCCCCC=CC=O
Molecule Weight
154.28
Canonical Smiles
CCCCCCCC=CC=O
Herb Alias Names
trans-2-Decenal(E)-Dec-2-enal3913-81-3decenal(E)-2-Decenal3-Heptylacrolein2-Decenal, (2E)-Decenaldehyde2-Decen-1-al
Molecular Weight
154.25g/mol
Molecular Formula
C10H18O
Molecular Formula
C10H18O
Num Rotatable Bonds
7