Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 6Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17070
- Core Entity Id
- 22143
- Source Entity Count
- 1
- Preferred Name
- Dihomolinolenic acid
- Name En
- Pubchem Id
- 5312529
- Smiles Canonical
- CCC=CCC=CCC=CCCCCCCCCCC(=O)O
- Molecular Formula
- C20H34O2
- Molecular Weight
- 306.4900
- Inchikey
- AHANXAKGNAKFSK-PDBXOOCHSA-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/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-
- Isomeric Smiles
- CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O
- Cas Id
- 17046-59-2
- Ob Score
- 44.1100
- 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
Dihomolinolenic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Dihomolinolenic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dihomolinolenic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dihomolinolenic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dihomolinolenic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dihomolinolenic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(11Z,14Z,17Z)-Icosa-11,14,17-trienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(11Z,14Z,17Z)-Icosa-11,14,17-trienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(11Z,14Z,17Z)-icosa-11,14,17-trienoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(Z,Z,Z)-11,14,17-Eicosatrienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z,Z,Z)-11,14,17-Eicosatrienoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(Z,Z,Z)-11,14,17-Eicosatrienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(all-cis)-11,14,17-Eicosatrienoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(all-cis)-Delta11,14,17-Eicosatrienoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
11,14,17-Eicosatrienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
11,14,17-Eicosatrienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
11,14,17-Eicosatrienoic acid, (11Z,14Z,17Z)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
11,14,17-Eicosatrienoic acid, (Z,Z,Z)-
Role
alias
Source
TCMBank
Preferred
No
Name
11,14,17-Eicosatrienoic acid, (Z,Z,Z)- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
11,14,17-Eicosatrienoicacid, (11Z,14Z,17Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
11,14,17-Eicosatrienoicacid, (11Z,14Z,17Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
11,14,17-Icosatrienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
11,14,17-Icosatrienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
11,14,17-eicosatrienoic acid, (11Z,14Z,17Z)-
Role
alias
Source
TCMBank
Preferred
No
Name
11-cis,14-cis,17-cis-Eicosatrienoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
11Z,14Z,17Z-eicosatrienoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
17046-59-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
17046-59-2
Role
alias
Source
TCMBank
Preferred
No
Name
17046-59-2
Role
alias
Source
HERB_v2
Preferred
No
Name
BCBcMAP01_000183
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_001330
Role
alias
Source
TCMBank
Preferred
No
Name
Bishomo-alpha-linolenic acid
Role
alias
Source
TCMBank
Preferred
No
Name
ETrE(11Z, 14Z, 17Z)
Role
alias
Source
TCMBank
Preferred
No
Name
Eicosatrienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eicosatrienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Homo-alpha-linolenic acid
Role
alias
Source
TCMBank
Preferred
No
Name
IDI1_033800
Role
alias
Source
TCMBank
Preferred
No
Name
Icosatrienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Icosatrienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA01030378
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00161349-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00161349-02
Role
alias
Source
TCMBank
Preferred
No
Name
all-cis-icosa-11,14,17-trienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
all-cis-icosa-11,14,17-trienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis,cis,cis-11,14,17-Eicosatrienoic acid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(11Z,14Z,17Z)-Icosa-11,14,17-trienoic acid(Z,Z,Z)-11,14,17-Eicosatrienoic acid(all-cis)-11,14,17-Eicosatrienoic acid(all-cis)-Delta11,14,17-Eicosatrienoic acid11,14,17-Eicosatrienoic acid11,14,17-Eicosatrienoic acid, (11Z,14Z,17Z)- (9CI)11,14,17-Eicosatrienoic acid, (Z,Z,Z)-11,14,17-Eicosatrienoic acid, (Z,Z,Z)- (8CI)11,14,17-Eicosatrienoicacid, (11Z,14Z,17Z)-11,14,17-Icosatrienoic acid11,14,17-eicosatrienoic acid, (11Z,14Z,17Z)-11-cis,14-cis,17-cis-Eicosatrienoic acid11Z,14Z,17Z-eicosatrienoic acid17046-59-2BCBcMAP01_000183BSPBio_001330Bishomo-alpha-linolenic acidETrE(11Z, 14Z, 17Z)Eicosatrienoic acidHomo-alpha-linolenic acidIDI1_033800Icosatrienoic acidLMFA01030378NCGC00161349-01NCGC00161349-02all-cis-icosa-11,14,17-trienoic acidcis,cis,cis-11,14,17-Eicosatrienoic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
17046-59-2
Herb
HBIN023791
Npass
NPC88966
Tcmsp
MOL003927
Sym Map
SMIT05928
Pub Chem
5312529
Tcmbank
TCMBANKIN004124
Etcm Ingredient
Dihomolinolenic acid
Itcmdb Generated
ITX-INGREDIENT-44568A6E9DCD
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/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-
Mol Wt
306.49
Cas Id
17046-59-2
Smiles
CCC=CCC=CCC=CCCCCCCCCCC(=O)O
Mol Log P
6.440700000000006
Version
v1,v2
In Ch Ikey
AHANXAKGNAKFSK-PDBXOOCHSA-N
Ob Score
44.1144.1102988344.110299
Suppress
0
Num Hdonors
1
Drug Likeness
0.279
Num Hacceptors
1
Isomeric Smiles
CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O
Molecule Weight
306.54
Canonical Smiles
CCC=CCC=CCC=CCCCCCCCCCC(=O)O
Herb Alias Names
17046-59-2(11Z,14Z,17Z)-Icosa-11,14,17-trienoic acid11,14,17-Eicosatrienoic acidall-cis-icosa-11,14,17-trienoic acid(Z,Z,Z)-11,14,17-Eicosatrienoic acid11,14,17-Icosatrienoic acidEicosatrienoic acidIcosatrienoic acid11,14,17-Eicosatrienoicacid, (11Z,14Z,17Z)-
Molecular Weight
306.260
Molecular Weight
306.48
Molecular Formula
C20H34O2
Molecular Formula
C20H34O2
Molecular Formula
C20H34O2
Num Rotatable Bonds
15
Fda Maximum Daily Dose (Fdamdd)
0.018
Quantitative Estimate Of Drug Likeness（Qed）
0.279