Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 8Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2481
- Core Entity Id
- 5944
- Source Entity Count
- 1
- Preferred Name
- [(2r)-2,3-dihydroxypropyl] octadecanoate
- Name En
- Pubchem Id
- 15560611
- Smiles Canonical
- CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
- Molecular Formula
- C21H42O4
- Molecular Weight
- 358.5630
- Inchikey
- VBICKXHEKHSIBG-HXUWFJFHSA-N
- Inchi
- InChI=1S/C21H42O4/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/h20,22-23H,2-19H2,1H3/t20-/m1/s1
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O
- Cas Id
- 11099-07-3
- Ob Score
- 25.1959
- Mol Logp
- 5.1443
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 19
- Drug Likeness
- 0.2480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
[(2R)-2,3-Dihydroxypropyl] Octadecanoate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
[(2R)-2,3-Dihydroxypropyl] Octadecanoate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
[(2R)-2,3-dihydroxypropyl] octadecanoate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
[(2R)-2,3-dihydroxypropyl] octadecanoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
[(2r)-2,3-dihydroxypropyl] octadecanoate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
[(2r)-2,3-dihydroxypropyl] octadecanoate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2R)-2,3-dihydroxypropyl octadecanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-2,3-dihydroxypropyl octadecanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-2,3-Dihydroxypropyl stearate
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-2,3-Dihydroxypropyl stearate
Role
alias
Source
itcmdb_public
Preferred
No
Name
14811-92-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
14811-92-8
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Stearoyl-sn-glycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Stearoyl-sn-glycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:75553
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:75553
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octadecanoic acid, (2R)-2,3-dihydroxypropyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octadecanoic acid, (2R)-2,3-dihydroxypropyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
octadecanoic acid [(2R)-2,3-dihydroxypropyl] ester
Role
alias
Source
TCMBank
Preferred
No
Name
sn-3-stearoyl monoglyceride
Role
alias
Source
HERB_v2
Preferred
No
Name
sn-3-stearoyl monoglyceride
Role
alias
Source
itcmdb_public
Preferred
No
Name
starbld0019123
Role
alias
Source
HERB_v2
Preferred
No
Name
starbld0019123
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R)-2,3-dihydroxypropyl octadecanoate(R)-2,3-Dihydroxypropyl stearate14811-92-83-Stearoyl-sn-glycerolCHEBI:75553Octadecanoic acid, (2R)-2,3-dihydroxypropyl esteroctadecanoic acid [(2R)-2,3-dihydroxypropyl] estersn-3-stearoyl monoglyceridestarbld0019123
Cross References
Trusted external identifiers retained for this final record.
Cas
11099-07-3
Herb
HBIN006365
Npass
NPC155592
Tcmid
15941
Tcmsp
MOL010928
Sym Map
SMIT11892
Pub Chem
15560611
Tcmbank
TCMBANKIN006268
Etcm Ingredient
[(2R)-2,3-dihydroxypropyl] octadecanoate
Itcmdb Generated
ITX-INGREDIENT-17FE0D5BD59F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H42O4/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/h20,22-23H,2-19H2,1H3/t20-/m1/s1
Mol Wt
358.563
Cas Id
11099-07-3
Mol Log P
5.144300000000007
Version
v1,v2
In Ch Ikey
VBICKXHEKHSIBG-HXUWFJFHSA-N
Ob Score
25.19590725.1959071925.196
Suppress
0
Num Hdonors
2
Drug Likeness
0.248
Num Hacceptors
4
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O
Molecule Weight
358.63
Canonical Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
Herb Alias Names
3-Stearoyl-sn-glycerol14811-92-8(2R)-2,3-dihydroxypropyl octadecanoateCHEBI:75553(R)-2,3-Dihydroxypropyl stearateOctadecanoic acid, (2R)-2,3-dihydroxypropyl ester((2R)-2,3-dihydroxypropyl) octadecanoatestarbld0019123sn-3-stearoyl monoglyceride
Molecular Weight
358.310
Molecular Weight
358.63
Molecular Formula
C21H42O4
Molecular Formula
C21H42O4
Num Rotatable Bonds
19
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.248