IngredientID 18741

Ethyl oleate

C20H38O2

Relationship Network

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Herb: 12Ingredient: 1Target: 5Links: 17

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 18741
Core Entity Id: 24009
Source Entity Count: 1
Preferred Name: Ethyl oleate
Name En
Pubchem Id: 5363269
Smiles Canonical: CCCCCCCCC=CCCCCCCCC(=O)OCC
Molecular Formula: C20H38O2
Molecular Weight: 310.5220
Inchikey: LVGKNOAMLMIIKO-QXMHVHEDSA-N
Inchi: InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-
Isomeric Smiles: CCCCCCCC/C=C\CCCCCCCC(=O)OCC
Cas Id: 111-62-6
Ob Score: 32.3970
Mol Logp: 6.5870
Num H Donors: 0
Num H Acceptors: 2
Num Rotatable Bonds: 16
Drug Likeness: 0.1830
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Ethyl Oleate (Nf)

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Ethyl Oleate

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ethyl Oleate (Nf)

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ethyl oleate

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ethyl oleate

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ethyl oleate

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ethyl oleate (NF)

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Ethyl oleate (NF)

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ethyl oleate (nf)

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ethyl oleate (nf)

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

ethyl oleate

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

(E)-9-Octadecenoic acid ethyl ester

Role

alias

Source

TCMBank

Preferred

Name

(E)-octadec-9-enoic acid ethyl ester

Role

alias

Source

TCMBank

Preferred

Name

(Z)-octadec-9-enoic acid ethyl ester

Role

alias

Source

TCMBank

Preferred

Name

111-62-6

Role

alias

Source

HERB_v2

Preferred

Name

111-62-6

Role

alias

Source

TCMBank

Preferred

Name

111-62-6

Role

alias

Source

itcmdb_public

Preferred

Name

268011_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

317675_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

6114-18-7

Role

alias

Source

TCMBank

Preferred

Name

75100_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

75101_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

9-OCTADECENOIC ACID ETHYL ESTER (Z)

Role

alias

Source

TCMBank

Preferred

Name

9-Octadecenoic acid (9Z)-, ethyl ester

Role

alias

Source

TCMBank

Preferred

Name

9-Octadecenoic acid (Z)-, ethyl ester

Role

alias

Source

HERB_v2

Preferred

Name

9-Octadecenoic acid (Z)-, ethyl ester

Role

alias

Source

TCMBank

Preferred

Name

9-Octadecenoic acid (Z)-, ethyl ester

Role

alias

Source

itcmdb_public

Preferred

Name

9-Octadecenoic acid, ethyl ester

Role

alias

Source

TCMBank

Preferred

Name

9-Octadecenoic acid, ethyl ester, (E)-

Role

alias

Source

TCMBank

Preferred

Name

AI3-00657

Role

alias

Source

TCMBank

Preferred

Name

D04090

Role

alias

Source

TCMBank

Preferred

Name

E8377_SIGMA

Role

alias

Source

TCMBank

Preferred

Name

EINECS 203-889-5

Role

alias

Source

TCMBank

Preferred

Name

EINECS 228-082-5

Role

alias

Source

TCMBank

Preferred

Name

Elaidic acid ethyl ester

Role

alias

Source

TCMBank

Preferred

Name

Ethyl (9E)-9-octadecenoate

Role

alias

Source

TCMBank

Preferred

Name

Ethyl 9-octadecenoate, (Z)-

Role

alias

Source

TCMBank

Preferred

Name

Ethyl cis-9-octadecenoate

Role

alias

Source

itcmdb_public

Preferred

Name

Ethyl cis-9-octadecenoate

Role

alias

Source

TCMBank

Preferred

Name

Ethyl cis-9-octadecenoate

Role

alias

Source

HERB_v2

Preferred

Name

Ethyl elaidate

Role

alias

Source

TCMBank

Preferred

Name

Ethyl oleate

Role

alias

Source

HERB_v2

Preferred

Name

Ethyl oleate

Role

alias

Source

itcmdb_public

Preferred

Name

Ethyl oleate (natural)

Role

alias

Source

TCMBank

Preferred

Name

Ethyl oleate (natural)

Role

alias

Source

HERB_v2

Preferred

Name

Ethyl oleate (natural)

Role

alias

Source

itcmdb_public

Preferred

Name

Ethyl oleate [NF]

Role

alias

Source

itcmdb_public

Preferred

Name

Ethyl oleate [NF]

Role

alias

Source

HERB_v2

Preferred

Name

FEMA No. 2450

Role

alias

Source

HERB_v2

Preferred

Name

FEMA No. 2450

Role

alias

Source

TCMBank

Preferred

Name

FEMA No. 2450

Role

alias

Source

itcmdb_public

Preferred

Name

NSC 229428

Role

alias

Source

TCMBank

Preferred

Name

Oleic acid ethyl ester

Role

alias

Source

TCMBank

Preferred

Name

Oleic acid ethyl ester

Role

alias

Source

HERB_v2

Preferred

Name

Oleic acid ethyl ester

Role

alias

Source

itcmdb_public

Preferred

Name

Oleic acid, ethyl ester (6CI,8CI)

Role

alias

Source

TCMBank

Preferred

Name

ST5410316

Role

alias

Source

TCMBank

Preferred

Name

ethyl (E)-octadec-9-enoate

Role

alias

Source

TCMBank

Preferred

Name

ethyl (Z)-octadec-9-enoate

Role

alias

Source

itcmdb_public

Preferred

Name

ethyl (Z)-octadec-9-enoate

Role

alias

Source

HERB_v2

Preferred

Name

ethyl (Z)-octadec-9-enoate

Role

alias

Source

TCMBank

Preferred

Name

ethyl octadec-9-enoate

Role

alias

Source

TCMBank

Preferred

Name

ethyl oleate

Role

alias

Source

TCMBank

Preferred

Name

octadec-9-enoic acid ethyl ester

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Ethyl Oleate (Nf)(E)-9-Octadecenoic acid ethyl ester(E)-octadec-9-enoic acid ethyl ester(Z)-octadec-9-enoic acid ethyl ester111-62-6268011_ALDRICH317675_ALDRICH6114-18-775100_FLUKA75101_FLUKA9-OCTADECENOIC ACID ETHYL ESTER (Z)9-Octadecenoic acid (9Z)-, ethyl ester9-Octadecenoic acid (Z)-, ethyl ester9-Octadecenoic acid, ethyl ester9-Octadecenoic acid, ethyl ester, (E)-AI3-00657D04090E8377_SIGMAEINECS 203-889-5EINECS 228-082-5Elaidic acid ethyl esterEthyl (9E)-9-octadecenoateEthyl 9-octadecenoate, (Z)-Ethyl cis-9-octadecenoateEthyl elaidateEthyl oleate (natural)Ethyl oleate [NF]FEMA No. 2450NSC 229428Oleic acid ethyl esterOleic acid, ethyl ester (6CI,8CI)ST5410316ethyl (E)-octadec-9-enoateethyl (Z)-octadec-9-enoateethyl octadec-9-enoateoctadec-9-enoic acid ethyl ester

Cross References

Trusted external identifiers retained for this final record.

Cas

111-62-6

Herb

HBIN025962HBIN025963

Npass

NPC128061NPC216394

Tcmid

33279

Tcmsp

MOL002883MOL008599

Sym Map

SMIT05051SMIT09861

Tcm Id

225844482

Pub Chem

53632695364430

Tcmbank

TCMBANKIN009041TCMBANKIN036539

Etcm Ingredient

Ethyl oleate (NF)ethyl oleate

Itcmdb Generated

ITX-INGREDIENT-5B3B348DD624ITX-INGREDIENT-C25EBF02480A

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-

Mol Wt

310.522

Cas Id

111-62-6

Smiles

CCCCCCCCC=CCCCCCCCC(=O)OCC

Mol Log P

6.587000000000008

Version

v1,v2

In Ch Ikey

LVGKNOAMLMIIKO-QXMHVHEDSA-N

Ob Score

32.39732.39738832.39738821

Suppress

Num Hdonors

Drug Likeness

0.183

Num Hacceptors

Isomeric Smiles

CCCCCCCC/C=C\CCCCCCCC(=O)OCC

Molecule Weight

310.58

Canonical Smiles

CCCCCCCCC=CCCCCCCCC(=O)OCC

Herb Alias Names

111-62-6ethyl (Z)-octadec-9-enoateOleic acid ethyl esterOleic acid, ethyl esterEthyl cis-9-octadecenoate9-Octadecenoic acid (Z)-, ethyl esterFEMA No. 2450Ethyl oleate [NF]Ethyl oleate (natural)

Molecular Weight

310.290

Molecular Weight

310.51

Molecular Formula

C20H38O2

Molecular Formula

C20H38O2

Molecular Formula

C20H38O2

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.0110.022

Quantitative Estimate Of Drug Likeness（Qed）

0.183