Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28206
- Core Entity Id
- 34537
- Source Entity Count
- 1
- Preferred Name
- Octadecadienoic acids
- Name En
- Pubchem Id
- 5312488
- Smiles Canonical
- CCCCCC=CCCC=CCCCCCCC(=O)O
- Molecular Formula
- C18H32O2
- Molecular Weight
- 280.4520
- Inchikey
- FVIFMUSFIUXENC-MVQNEBOGSA-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/h6-7,10-11H,2-5,8-9,12-17H2,1H3,(H,19,20)/b7-6+,11-10+
- Isomeric Smiles
- CCCCC/C=C/CC/C=C/CCCCCCC(=O)O
- Cas Id
- Ob Score
- 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
Octadecadienoic acids
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Octadecadienoic acids
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
octadecadienoic acids
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(8E,12E)-octadeca-8,12-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(8E,12E)-octadeca-8,12-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
26764-25-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
26764-25-0
Role
alias
Source
HERB_v2
Preferred
No
Name
8,12-octadecadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
8,12-octadecadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
C18:2n-6,10
Role
alias
Source
itcmdb_public
Preferred
No
Name
C18:2n-6,10
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 4310
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 4310
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:196558
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:196558
Role
alias
Source
itcmdb_public
Preferred
No
Name
FVIFMUSFIUXENC-MVQNEBOGSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
FVIFMUSFIUXENC-MVQNEBOGSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octadecadienoic acid (VAN)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octadecadienoic acid (VAN)
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3614606
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3614606
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5370158
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5370158
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(8E,12E)-octadeca-8,12-dienoic acid26764-25-08,12-octadecadienoic acidC18:2n-6,10CCRIS 4310CHEBI:196558FVIFMUSFIUXENC-MVQNEBOGSA-NOctadecadienoic acid (VAN)SCHEMBL3614606SCHEMBL5370158
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037735
Npass
NPC212428
Tcm Id
23460
Pub Chem
5312488
Tcmbank
TCMBANKIN009181
Attributes
Merged source attributes and domain-specific metadata.
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/h6-7,10-11H,2-5,8-9,12-17H2,1H3,(H,19,20)/b7-6+,11-10+
Mol Wt
280.4519999999999
Smiles
CCCCCC=CCCC=CCCCCCCC(=O)O
Mol Log P
5.884500000000005
In Ch Ikey
FVIFMUSFIUXENC-MVQNEBOGSA-N
Num Hdonors
1
Drug Likeness
0.318
Num Hacceptors
1
Isomeric Smiles
CCCCC/C=C/CC/C=C/CCCCCCC(=O)O
Canonical Smiles
CCCCCC=CCCC=CCCCCCCC(=O)O
Herb Alias Names
8,12-octadecadienoic acid(8E,12E)-octadeca-8,12-dienoic acid26764-25-0C18:2n-6,10Octadecadienoic acid (VAN)CCRIS 4310SCHEMBL3614606SCHEMBL5370158CHEBI:196558FVIFMUSFIUXENC-MVQNEBOGSA-N
Molecular Weight
280.4 g/mol
Molecular Formula
C18H32O2
Molecular Formula
C18H32O2
Num Rotatable Bonds
14