Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8029
- Core Entity Id
- 12098
- Source Entity Count
- 1
- Preferred Name
- 7,10,13-eicosatrienoic acid
- Name En
- Pubchem Id
- 5312532
- Smiles Canonical
- CCCCCCC=CCC=CCC=CCCCCCC(=O)O
- Molecular Formula
- C20H34O2
- Molecular Weight
- 306.4900
- Inchikey
- KSDMISMEMOGBFU-SPOHZTNBSA-N
- Inchi
- InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8,10-11,13-14H,2-6,9,12,15-19H2,1H3,(H,21,22)/b8-7+,11-10+,14-13+
- Isomeric Smiles
- CCCCCC/C=C/C/C=C/C/C=C/CCCCCC(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 6.4407
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.2790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7 ,10,13-Eicosatrienoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
7 ,10,13-Eicosatrienoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7 ,10,13-Eicosatrienoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7,10,13-eicosatrienoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7,10,13-eicosatrienoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
LMFA01030382
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA01030382
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL15562867
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL15562867
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7 ,10,13-Eicosatrienoic AcidLMFA01030382SCHEMBL15562867
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012845
Npass
NPC196907
Tcmid
40954
Sym Map
SMIT21926
Pub Chem
5312532
Tcmbank
TCMBANKIN020860
Itcmdb Generated
ITX-INGREDIENT-5E0683015C3D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8,10-11,13-14H,2-6,9,12,15-19H2,1H3,(H,21,22)/b8-7+,11-10+,14-13+
Mol Wt
306.49
Smiles
CCCCCCC=CCC=CCC=CCCCCCC(=O)O
Mol Log P
6.440700000000007
Version
v2
In Ch Ikey
KSDMISMEMOGBFU-SPOHZTNBSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.279
Num Hacceptors
1
Isomeric Smiles
CCCCCC/C=C/C/C=C/C/C=C/CCCCCC(=O)O
Canonical Smiles
CCCCCCC=CCC=CCC=CCCCCCC(=O)O
Herb Alias Names
SCHEMBL15562867LMFA01030382
Molecular Formula
C20H34O2
Molecular Formula
C20H34O2
Num Rotatable Bonds
15