Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 6Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20473
- Core Entity Id
- 25938
- Source Entity Count
- 1
- Preferred Name
- Glycerol-1-(9-octadecenoate)
- Name En
- Pubchem Id
- 5364833
- Smiles Canonical
- CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
- Molecular Formula
- C21H40O4
- Molecular Weight
- 356.5470
- Inchikey
- RZRNAYUHWVFMIP-MDZDMXLPSA-N
- Inchi
- InChI=1S/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+
- Isomeric Smiles
- CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)O
- Cas Id
- Ob Score
- 34.1310
- Mol Logp
- 4.9203
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 18
- Drug Likeness
- 0.2080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glycerol-1-(9-Octadecenoate)
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Glycerol-1-(9-Octadecenoate)
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Glycerol-1-(9-octadecenoate)
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glycerol-1-(9-octadecenoate)
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
glycerol-1-(9-octadecenoate)
Role
preferred
Source
TCMBank
Preferred
Yes
Name
glycerol-1-(9-octadecenoate)
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-[(9E)-octadecenoyl]glycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-[(9E)-octadecenoyl]glycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-monoelaidin
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-monoelaidin
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-Dihydroxypropyl elaidate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Dihydroxypropyl elaidate
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-dihydroxypropyl (E)-octadec-9-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-dihydroxypropyl (E)-octadec-9-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2716-53-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
2716-53-2
Role
alias
Source
HERB_v2
Preferred
No
Name
29798-65-0
Role
alias
Source
HERB_v2
Preferred
No
Name
29798-65-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Octadecenoicacid(E)-,2,3-dihydroxypropylester
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Octadecenoicacid(E)-,2,3-dihydroxypropylester
Role
alias
Source
HERB_v2
Preferred
No
Name
Glyceryl monooleate
Role
alias
Source
HERB_v2
Preferred
No
Name
Glyceryl monooleate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isojasminin
Role
alias
Source
HERB_v2
Preferred
No
Name
Isojasminin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Monoelaidin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Monoelaidin
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2R)-2,3-Dihydroxypropyl] (Z)-Octadec-9-Enoate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1-Monoolein
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-monoolein
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
[(2R)-2,3-dihydroxypropyl] (Z)-octadec-9-enoate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
[(2r)-2,3-dihydroxypropyl] (z)-octadec-9-enoate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-octadec-9-enoic acid [(2R)-2,3-dihydroxypropyl] ester
Role
alias
Source
TCMBank
Preferred
No
Name
1-Monooleoyl-sn-glycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Oleoyl-rac-glycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Oleoylglycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
111-03-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
129731-08-4
Role
alias
Source
HERB_v2
Preferred
No
Name
129784-87-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Dihydroxypropyl oleate
Role
alias
Source
itcmdb_public
Preferred
No
Name
25496-72-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-oleoyl-sn-glycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
9-Octadecenoic acid (9Z)-, monoester with 1,2,3-propanetriol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glycerin 1-monooleate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glycerol 1-monooleate
Role
alias
Source
HERB_v2
Preferred
No
Name
Glyceryl oleate
Role
alias
Source
HERB_v2
Preferred
No
Name
Monoolein
Role
alias
Source
itcmdb_public
Preferred
No
Name
Monooleoylglycerol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-[(9E)-octadecenoyl]glycerol1-monoelaidin2,3-Dihydroxypropyl elaidate2,3-dihydroxypropyl (E)-octadec-9-enoate2716-53-229798-65-09-Octadecenoicacid(E)-,2,3-dihydroxypropylesterGlyceryl monooleateIsojasmininMonoelaidin[(2R)-2,3-Dihydroxypropyl] (Z)-Octadec-9-Enoate1-Monoolein(2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate(Z)-octadec-9-enoic acid [(2R)-2,3-dihydroxypropyl] ester1-Monooleoyl-sn-glycerol1-Oleoyl-rac-glycerol1-Oleoylglycerol111-03-5129731-08-4129784-87-82,3-Dihydroxypropyl oleate25496-72-43-oleoyl-sn-glycerol9-Octadecenoic acid (9Z)-, monoester with 1,2,3-propanetriolGlycerin 1-monooleateGlycerol 1-monooleateGlyceryl oleateMonooleinMonooleoylglycerol
Cross References
Trusted external identifiers retained for this final record.
Cas
111-03-5
Herb
HBIN028107HBIN002820HBIN006366
Npass
NPC321286NPC104537NPC215589
Tcmid
14921317023612038845
Tcmsp
MOL008600MOL002882MOL008218
Sym Map
SMIT09862SMIT05050SMIT09535SMIT19386
Pub Chem
5364833114511465283468
Tcmbank
TCMBANKIN028279TCMBANKIN036746
Drug Bank
DB13171
Etcm Ingredient
glycerol-1-(9-octadecenoate)
Itcmdb Generated
ITX-INGREDIENT-92327F67F0A9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+
Mol Wt
356.547
Smiles
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
Mol Log P
4.920300000000006
Version
v1,v2
In Ch Ikey
RZRNAYUHWVFMIP-MDZDMXLPSA-N
Ob Score
34.13134.1310775834.131078
Suppress
0
Num Hdonors
2
Drug Likeness
0.208
Num Hacceptors
4
Isomeric Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)O
Molecule Weight
356.61
Canonical Smiles
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
Herb Alias Names
Monoelaidin2716-53-22,3-dihydroxypropyl (E)-octadec-9-enoateGlyceryl monooleate29798-65-02,3-Dihydroxypropyl elaidate1-[(9E)-octadecenoyl]glycerol1-monoelaidin9-Octadecenoicacid(E)-,2,3-dihydroxypropylesterIsojasminin
Molecular Weight
356.290
Molecular Weight
356.5 g/mol
Molecular Formula
C21H40O4
Molecular Formula
C21H40O4
Molecular Formula
C21H40O4
Num Rotatable Bonds
18
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.208