Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9205
- Core Entity Id
- 13398
- Source Entity Count
- 1
- Preferred Name
- 9-octadecenal
- Name En
- Pubchem Id
- 5283381
- Smiles Canonical
- CCCCCCCCC=CCCCCCCCC=O
- Molecular Formula
- C18H34O
- Molecular Weight
- 266.4690
- Inchikey
- ZENZJGDPWWLORF-MDZDMXLPSA-N
- Inchi
- InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+
- Isomeric Smiles
- CCCCCCCC/C=C/CCCCCCCC=O
- Cas Id
- 5090-41-5
- Ob Score
- 29.0110
- Mol Logp
- 6.2228
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.1950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9-Octadecenal
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
9-OCTADECENAL
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
9-OCTADECENAL
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9-Octadecenal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
9-octadecenal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
9-octadecenal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(E)-Octadec-9-enal
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-Octadec-9-enal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-octadec-9-enal
Role
alias
Source
TCMBank
Preferred
No
Name
5090-41-5
Role
alias
Source
HERB_v2
Preferred
No
Name
5090-41-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
5090-41-5
Role
alias
Source
TCMBank
Preferred
No
Name
9-Octadecenal, (9E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
9-Octadecenal, (9E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Octadecenal, (E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Octadecenal, (E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL190707
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL190707
Role
alias
Source
itcmdb_public
Preferred
No
Name
E-9-Octadecenal
Role
alias
Source
itcmdb_public
Preferred
No
Name
E-9-Octadecenal
Role
alias
Source
HERB_v2
Preferred
No
Name
FEMA No. 4059, E-
Role
alias
Source
itcmdb_public
Preferred
No
Name
FEMA No. 4059, E-
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA06000099
Role
alias
Source
TCMBank
Preferred
No
Name
Octadecenyl aldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octadecenyl aldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
Octadecenyl aldehyde
Role
alias
Source
TCMBank
Preferred
No
Name
octadec-9-enal
Role
alias
Source
HERB_v2
Preferred
No
Name
octadec-9-enal
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-Octadec-9-enal5090-41-59-Octadecenal, (9E)-9-Octadecenal, (E)-CHEMBL190707E-9-OctadecenalFEMA No. 4059, E-LMFA06000099Octadecenyl aldehydeoctadec-9-enal
Cross References
Trusted external identifiers retained for this final record.
Cas
5090-41-5
Herb
HBIN014154
Npass
NPC163751
Tcmsp
MOL010654
Sym Map
SMIT11667
Pub Chem
5283381
Tcmbank
TCMBANKIN010017
Etcm Ingredient
9-OCTADECENAL
Itcmdb Generated
ITX-INGREDIENT-4DDA5229D42D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+
Mol Wt
266.4689999999999
Cas Id
5090-41-5
Smiles
CCCCCCCCC=CCCCCCCCC=O
Mol Log P
6.222800000000007
Version
v1,v2
In Ch Ikey
ZENZJGDPWWLORF-MDZDMXLPSA-N
Ob Score
29.01129.0114877129.011488
Suppress
0
Num Hdonors
0
Drug Likeness
0.195
Num Hacceptors
1
Isomeric Smiles
CCCCCCCC/C=C/CCCCCCCC=O
Molecule Weight
266.52
Canonical Smiles
CCCCCCCCC=CCCCCCCCC=O
Herb Alias Names
(E)-Octadec-9-enal5090-41-5octadec-9-enalE-9-OctadecenalOctadecenyl aldehyde9-Octadecenal, (9E)-9-Octadecenal, (E)-FEMA No. 4059, E-CHEMBL190707
Molecular Weight
266.260
Molecular Weight
266.46
Molecular Formula
C18H34O
Molecular Formula
C18H34O
Molecular Formula
C18H34O
Num Rotatable Bonds
15
Fda Maximum Daily Dose (Fdamdd)
0.031
Quantitative Estimate Of Drug Likeness（Qed）
0.195