Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 9Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9145
- Core Entity Id
- 13330
- Source Entity Count
- 1
- Preferred Name
- 9e,12z-octadecadienoic acid
- Name En
- Pubchem Id
- 5282798
- Smiles Canonical
- CCCCCC=CCC=CCCCCCCCC(=O)O
- Molecular Formula
- C18H32O2
- Molecular Weight
- 280.4520
- Inchikey
- OYHQOLUKZRVURQ-IXWMQOLASA-N
- Inchi
- InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9+
- Isomeric Smiles
- CCCCC/C=C\C/C=C/CCCCCCCC(=O)O
- Cas Id
- 2420-55-5
- Ob Score
- 41.9040
- Mol Logp
- 5.8845
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.3180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9E,12Z-Octadecadienoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
9E,12Z-Octadecadienoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
9e,12z-octadecadienoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
9e,12z-octadecadienoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(9E,12Z)-octadeca-9,12-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(9E,12Z)-octadeca-9,12-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2420-42-0
Role
alias
Source
HERB_v2
Preferred
No
Name
2420-42-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
9(Z)?,?12(E)?-?Octadecadienoic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
9(Z)?,?12(E)?-?Octadecadienoic Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
9,12-Octadecadienoic acid, (E,Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
9,12-Octadecadienoic acid, (E,Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,12-Octadecadienoicacid, (9E,12Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,12-Octadecadienoicacid, (9E,12Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
C18:2n-6,9
Role
alias
Source
HERB_v2
Preferred
No
Name
C18:2n-6,9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Linoleic acid, (9Z,12E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Linoleic acid, (9Z,12E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans,cis-octadeca-9,12-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans,cis-octadeca-9,12-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-9, cis-12-octadecadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-9, cis-12-octadecadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(9E,12Z)-octadeca-9,12-dienoic acid2420-42-09(Z)?,?12(E)?-?Octadecadienoic Acid9,12-Octadecadienoic acid, (E,Z)-9,12-Octadecadienoicacid, (9E,12Z)-C18:2n-6,9Linoleic acid, (9Z,12E)-trans,cis-octadeca-9,12-dienoic acidtrans-9, cis-12-octadecadienoic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
2420-55-5
Herb
HBIN014087
Npass
NPC290319
Tcmsp
MOL002038
Sym Map
SMIT04354
Pub Chem
5282798
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9+
Mol Wt
280.4519999999999
Cas Id
2420-55-5
Mol Log P
5.884500000000005
Version
v1,v2
In Ch Ikey
OYHQOLUKZRVURQ-IXWMQOLASA-N
Ob Score
41.90441.90443602
Suppress
0
Num Hdonors
1
Drug Likeness
0.318
Num Hacceptors
1
Isomeric Smiles
CCCCC/C=C\C/C=C/CCCCCCCC(=O)O
Molecule Weight
280.5
Canonical Smiles
CCCCCC=CCC=CCCCCCCCC(=O)O
Herb Alias Names
(9E,12Z)-octadeca-9,12-dienoic acid9,12-Octadecadienoicacid, (9E,12Z)-9,12-Octadecadienoic acid, (E,Z)-9(Z)?,?12(E)?-?Octadecadienoic Acid2420-42-0trans,cis-octadeca-9,12-dienoic acidtrans-9, cis-12-octadecadienoic acidLinoleic acid, (9Z,12E)-C18:2n-6,9
Molecular Formula
C18H32O2
Num Rotatable Bonds
14