Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 7Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26328
- Core Entity Id
- 32456
- Source Entity Count
- 1
- Preferred Name
- Methyl oleate
- Name En
- Pubchem Id
- 5364509
- Smiles Canonical
- CCCCCCCCC=CCCCCCCCC(=O)OC
- Molecular Formula
- C19H36O2
- Molecular Weight
- 296.4950
- Inchikey
- QYDYPVFESGNLHU-KHPPLWFESA-N
- Inchi
- InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-
- Isomeric Smiles
- CCCCCCCC/C=C\CCCCCCCC(=O)OC
- Cas Id
- 112-62-9
- Ob Score
- 31.8980
- Mol Logp
- 6.1969
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.2040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl Oleate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Methyl oleate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Methyl oleate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Methyl oleate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
112-62-9
Role
alias
Source
HERB_v2
Preferred
No
Name
112-62-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Edenor MeTiO5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Edenor MeTiO5
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl (Z)-9-octadecenoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl (Z)-9-octadecenoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl cis-9-octadecenoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl cis-9-octadecenoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oleic acid methyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Oleic acid methyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phytorob 926-67
Role
alias
Source
HERB_v2
Preferred
No
Name
Phytorob 926-67
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl (Z)-octadec-9-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl (Z)-octadec-9-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl-cis-oleate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl-cis-oleate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
112-62-9Edenor MeTiO5Methyl (Z)-9-octadecenoateMethyl cis-9-octadecenoateOleic acid methyl esterPhytorob 926-67methyl (Z)-octadec-9-enoatemethyl-cis-oleate
Cross References
Trusted external identifiers retained for this final record.
Cas
112-62-9139152-82-2
Herb
HBIN014158HBIN026279HBIN035345
Npass
NPC309606
Tcmid
14622332813328240993
Tcmsp
MOL002203MOL002875
Sym Map
SMIT04495SMIT05044
Tcm Id
2711
Pub Chem
5364509
Tcmbank
TCMBANKIN060959
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-
Mol Wt
296.4949999999999
Cas Id
112-62-9139152-82-2
Smiles
CCCCCCCCC=CCCCCCCCC(=O)OC
Mol Log P
6.196900000000007
Version
v1,v2
In Ch Ikey
QYDYPVFESGNLHU-KHPPLWFESA-N
Ob Score
31.89831.8984808131.898481
Suppress
0
Num Hdonors
0
Drug Likeness
0.204
Num Hacceptors
2
Isomeric Smiles
CCCCCCCC/C=C\CCCCCCCC(=O)OC
Molecule Weight
296.55
Canonical Smiles
CCCCCCCCC=CCCCCCCCC(=O)OC
Herb Alias Names
112-62-9Methyl cis-9-octadecenoateOleic acid methyl esterMethyl (Z)-9-octadecenoateOleic acid, methyl esterEdenor MeTiO5methyl (Z)-octadec-9-enoatePhytorob 926-67methyl-cis-oleate
Molecular Weight
296.5 g/mol
Molecular Formula
C19H36O2
Molecular Formula
C19H36O2
Num Rotatable Bonds
15