Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9077
- Core Entity Id
- 13256
- Source Entity Count
- 1
- Preferred Name
- 9,17-octadecadienal (z)
- Name En
- Pubchem Id
- 5365667
- Smiles Canonical
- C=CCCCCCCC=CCCCCCCCC=O
- Molecular Formula
- C18H32O
- Molecular Weight
- 264.4530
- Inchikey
- RXORHYFDDNAOQS-KTKRTIGZSA-N
- Inchi
- InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2,9-10,18H,1,3-8,11-17H2/b10-9-
- Isomeric Smiles
- C=CCCCCCC/C=C\CCCCCCCC=O
- Cas Id
- 56554-35-9
- Ob Score
- 38.2569
- Mol Logp
- 5.9988
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.2010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9,17-Octadecadienal (Z)
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
9,17-octadecadienal (z)
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
9,17-octadecadienal (z)
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(9Z)-9,17-Octadecadienal #
Role
alias
Source
itcmdb_public
Preferred
No
Name
(9Z)-9,17-Octadecadienal #
Role
alias
Source
HERB_v2
Preferred
No
Name
(z)-9,17-octadecadienal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(z)-9,17-octadecadienal
Role
alias
Source
HERB_v2
Preferred
No
Name
56554-35-9
Role
alias
Source
HERB_v2
Preferred
No
Name
56554-35-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,17-Octadecadienal, (Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,17-Octadecadienal, (Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID501015908
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID501015908
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00076575
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00076575
Role
alias
Source
itcmdb_public
Preferred
No
Name
RXORHYFDDNAOQS-KTKRTIGZSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
RXORHYFDDNAOQS-KTKRTIGZSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3966133
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3966133
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-9,17-Octadecadienal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(Z)-9,17-octadecadienal
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(9Z)-9,17-Octadecadienal
Role
alias
Source
TCMBank
Preferred
No
Name
(9Z)-octadeca-9,17-dienal
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(9Z)-9,17-Octadecadienal #(z)-9,17-octadecadienal56554-35-99,17-Octadecadienal, (Z)-DTXSID501015908NS00076575RXORHYFDDNAOQS-KTKRTIGZSA-NSCHEMBL3966133(9Z)-9,17-Octadecadienal(9Z)-octadeca-9,17-dienal
Cross References
Trusted external identifiers retained for this final record.
Cas
56554-35-9
Herb
HBIN014011HBIN048807
Npass
NPC57739
Tcmid
40999
Tcmsp
MOL001585
Sym Map
SMIT03977SMIT20025
Pub Chem
5365667
Tcmbank
TCMBANKIN058044
Etcm Ingredient
(Z)-9,17-octadecadienal
Itcmdb Generated
ITX-INGREDIENT-821893902391ITX-INGREDIENT-D3AC2EBCB457
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2,9-10,18H,1,3-8,11-17H2/b10-9-
Mol Wt
264.4529999999999
Cas Id
56554-35-9
Smiles
C=CCCCCCCC=CCCCCCCCC=O
Mol Log P
5.998800000000005
Version
v1,v2
In Ch Ikey
RXORHYFDDNAOQS-KTKRTIGZSA-N
Ob Score
38.2569197538.257
Suppress
0
Num Hdonors
0
Drug Likeness
0.201
Num Hacceptors
1
Isomeric Smiles
C=CCCCCCC/C=C\CCCCCCCC=O
Molecule Weight
264.5
Canonical Smiles
C=CCCCCCCC=CCCCCCCCC=O
Herb Alias Names
9,17-Octadecadienal, (Z)-56554-35-9(z)-9,17-octadecadienalSCHEMBL3966133(9Z)-9,17-Octadecadienal #RXORHYFDDNAOQS-KTKRTIGZSA-NDTXSID501015908NS00076575
Molecular Weight
264.250
Molecular Weight
264.4 g/mol
Molecular Formula
C18H32O
Molecular Formula
C18H32O
Molecular Formula
C18H32O
Num Rotatable Bonds
15
Fda Maximum Daily Dose (Fdamdd)
0.062
Quantitative Estimate Of Drug Likeness（Qed）
0.201