Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 5Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26598
- Core Entity Id
- 32754
- Source Entity Count
- 1
- Preferred Name
- Monolinolenin
- Name En
- Pubchem Id
- 5872092
- Smiles Canonical
- CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)O
- Molecular Formula
- C21H36O4
- Molecular Weight
- 352.5150
- Inchikey
- GGJRAQULURVTAJ-IUQGRGSQSA-N
- Inchi
- InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3+,7-6+,10-9+
- Isomeric Smiles
- CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OCC(CO)O
- Cas Id
- Ob Score
- 38.1373
- Mol Logp
- 4.4723
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.2440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Monolinolenin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1-Monolinolenin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-monolinolenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-monolinolenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-monolinolenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Monolinolenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Monolinolenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
monolinolenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Monolinolenin
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Monolinolenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Monolinolenoyl-rac-glycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Monolinolenoyl-rac-glycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
26545-75-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
26545-75-5
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(9,12,15-octadecatrienoyl)-glycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(9,12,15-octadecatrienoyl)-glycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
75685-85-7
Role
alias
Source
HERB_v2
Preferred
No
Name
75685-85-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2075041
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2075041
Role
alias
Source
HERB_v2
Preferred
No
Name
MAG 18:3
Role
alias
Source
itcmdb_public
Preferred
No
Name
MAG 18:3
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL23611225
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL23611225
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL23611226
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL23611226
Role
alias
Source
itcmdb_public
Preferred
No
Name
monolinolenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
monolinolenin
Role
alias
Source
HERB_v2
Preferred
No
Name
Glyceryl Linolenate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Glyceryl linolenate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
glyceryl linolenate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
.alpha.-Glyceryl linolenate
Role
alias
Source
itcmdb_public
Preferred
No
Name
18465-99-1
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-dihydroxypropyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:75577
Role
alias
Source
itcmdb_public
Preferred
No
Name
D653SPR2BC
Role
alias
Source
HERB_v2
Preferred
No
Name
Glyceryl monolinolenate
Role
alias
Source
HERB_v2
Preferred
No
Name
Linolenin, 1-mono-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Monolinolenin1-Monolinolenoyl-rac-glycerol26545-75-53-(9,12,15-octadecatrienoyl)-glycerol75685-85-7CHEMBL2075041MAG 18:3SCHEMBL23611225SCHEMBL23611226Glyceryl Linolenate.alpha.-Glyceryl linolenate18465-99-12,3-dihydroxypropyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoateCHEBI:75577D653SPR2BCGlyceryl monolinolenateLinolenin, 1-mono-
Cross References
Trusted external identifiers retained for this final record.
Cas
18465-99-1
Herb
HBIN002819HBIN035680HBIN028125
Npass
NPC271921NPC272113
Tcmid
33340372768813
Tcmsp
MOL010929
Sym Map
SMIT20259SMIT01240
Tcm Id
9146
Pub Chem
58720925367328
Tcmbank
TCMBANKIN027192TCMBANKIN060707
Etcm Ingredient
glyceryl linolenate
Itcmdb Generated
ITX-INGREDIENT-25464C51E3FDITX-INGREDIENT-E5DDF5DAD332
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3+,7-6+,10-9+
Mol Wt
352.515
Smiles
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)O
Mol Log P
4.472300000000005
Version
v2
In Ch Ikey
GGJRAQULURVTAJ-IUQGRGSQSA-N
Ob Score
38.137305
Suppress
0
Num Hdonors
2
Drug Likeness
0.244
Num Hacceptors
4
Isomeric Smiles
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OCC(CO)O
Molecule Weight
352.57
Canonical Smiles
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)O
Herb Alias Names
monolinolenin1-Monolinolenoyl-rac-glycerol75685-85-726545-75-5CHEMBL2075041SCHEMBL23611225SCHEMBL23611226MAG 18:33-(9,12,15-octadecatrienoyl)-glycerol
Molecular Weight
352.260
Molecular Weight
352.5 g/mol
Molecule Formula
C21H38O4
Molecular Formula
C21H36O4
Molecular Formula
C21H36O4
Molecular Formula
C21H36O4
Num Rotatable Bonds
16
Fda Maximum Daily Dose (Fdamdd)
0.708
Quantitative Estimate Of Drug Likeness（Qed）
0.244