Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26608
- Core Entity Id
- 32765
- Source Entity Count
- 1
- Preferred Name
- Monoricinolein
- Name En
- Pubchem Id
- 5319880
- Smiles Canonical
- CCCCCCC(CC=CCCCCCCCC(=O)OCC(CO)O)O
- Molecular Formula
- C21H40O5
- Molecular Weight
- 372.5460
- Inchikey
- HDIFHQMREAYYJW-XFXZXTDPSA-N
- Inchi
- InChI=1S/C21H40O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h9,12,19-20,22-24H,2-8,10-11,13-18H2,1H3/b12-9-
- Isomeric Smiles
- CCCCCCC(C/C=C\CCCCCCCC(=O)OCC(CO)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.8911
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 18
- Drug Likeness
- 0.1930
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Monoricinolein
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Monoricinolein
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Monoricinolein
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
monoricinolein
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Glyceryl ricinoleate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Glyceryl ricinoleate
Role
alias
Source
HERB_v2
Preferred
No
Name
141-08-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
141-08-2
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-Dihydroxypropyl 12-hydroxy-9-octadecenoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Dihydroxypropyl 12-hydroxy-9-octadecenoate
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-dihydroxypropyl (Z)-12-hydroxyoctadec-9-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-dihydroxypropyl (Z)-12-hydroxyoctadec-9-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aldo MR (Salt/Mix)
Role
alias
Source
HERB_v2
Preferred
No
Name
Aldo MR (Salt/Mix)
Role
alias
Source
itcmdb_public
Preferred
No
Name
GLYCERYL RICINOLEATE
Role
alias
Source
itcmdb_public
Preferred
No
Name
GLYCERYL RICINOLEATE
Role
alias
Source
HERB_v2
Preferred
No
Name
Glyceryl monoricinoleate
Role
alias
Source
HERB_v2
Preferred
No
Name
Glyceryl monoricinoleate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexricin 13
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexricin 13
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ricinolein, 1-mono-
Role
alias
Source
HERB_v2
Preferred
No
Name
Ricinolein, 1-mono-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Glyceryl ricinoleate141-08-22,3-Dihydroxypropyl 12-hydroxy-9-octadecenoate2,3-dihydroxypropyl (Z)-12-hydroxyoctadec-9-enoateAldo MR (Salt/Mix)GLYCERYL RICINOLEATEGlyceryl monoricinoleateHexricin 13Ricinolein, 1-mono-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035692
Tcmid
14924
Pub Chem
5319880
Tcmbank
TCMBANKIN009870
Etcm Ingredient
Monoricinolein
Itcmdb Generated
ITX-INGREDIENT-08C4DE517020
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H40O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h9,12,19-20,22-24H,2-8,10-11,13-18H2,1H3/b12-9-
Mol Wt
372.546
Smiles
CCCCCCC(CC=CCCCCCCCC(=O)OCC(CO)O)O
Mol Log P
3.891100000000005
In Ch Ikey
HDIFHQMREAYYJW-XFXZXTDPSA-N
Num Hdonors
3
Drug Likeness
0.193
Num Hacceptors
5
Isomeric Smiles
CCCCCCC(C/C=C\CCCCCCCC(=O)OCC(CO)O)O
Canonical Smiles
CCCCCCC(CC=CCCCCCCCC(=O)OCC(CO)O)O
Herb Alias Names
2,3-dihydroxypropyl (Z)-12-hydroxyoctadec-9-enoateGlyceryl monoricinoleate141-08-2Ricinolein, 1-mono-1-Glyceryl ricinoleateGLYCERYL RICINOLEATE2,3-Dihydroxypropyl 12-hydroxy-9-octadecenoateHexricin 13Aldo MR (Salt/Mix)
Molecular Weight
372.290
Molecular Weight
372.5 g/mol
Molecular Formula
C21H40O5
Molecular Formula
C21H40O5
Molecular Formula
C21H40O5
Num Rotatable Bonds
18
Fda Maximum Daily Dose (Fdamdd)
0.045
Quantitative Estimate Of Drug Likeness（Qed）
0.193