IngredientID 17279

Dimethyl anthranilate

C9H11NO2

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Herb: 2Ingredient: 1Target: 12Links: 14

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 17279
Core Entity Id: 22375
Source Entity Count: 1
Preferred Name: Dimethyl anthranilate
Name En
Pubchem Id: 6826
Smiles Canonical: CNC1=CC=CC=C1C(=O)OC
Molecular Formula: C9H11NO2
Molecular Weight: 165.1920
Inchikey: GVOWHGSUZUUUDR-UHFFFAOYSA-N
Inchi: InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3
Isomeric Smiles: CNC1=CC=CC=C1C(=O)OC
Cas Id: 85-91-6
Ob Score: 65.8688
Mol Logp: 1.5149
Num H Donors: 1
Num H Acceptors: 3
Num Rotatable Bonds: 2
Drug Likeness: 0.6750
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Dimethyl Anthranilate

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Dimethyl anthranilate

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Dimethyl anthranilate

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Dimethyl anthranilate

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Dimethyl anthranilate

Role

preferred

Source

TCMBank

Preferred

Yes

Name

2-Methylaminomethyl benzoate

Role

alias

Source

TCMBank

Preferred

Name

2-methylaminobenzoic acid methyl ester

Role

alias

Source

TCMBank

Preferred

Name

4-14-00-01016 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

65820_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

85-91-6

Role

alias

Source

itcmdb_public

Preferred

Name

85-91-6

Role

alias

Source

TCMBank

Preferred

Name

85-91-6

Role

alias

Source

HERB_v2

Preferred

Name

AI3-03340

Role

alias

Source

TCMBank

Preferred

Name

Anthranilic acid, N-methyl-, methyl ester

Role

alias

Source

TCMBank

Preferred

Name

BENZOIC ACID METHYL ESTER,2-METHYLAMINO (N-METHYL-ANTHRANILIC ACID METHYL ESTER)

Role

alias

Source

TCMBank

Preferred

Name

BRN 0607217

Role

alias

Source

TCMBank

Preferred

Name

Benzoic acid, 2-(methylamino)-, methyl ester

Role

alias

Source

itcmdb_public

Preferred

Name

Benzoic acid, 2-(methylamino)-, methyl ester

Role

alias

Source

HERB_v2

Preferred

Name

Benzoic acid, 2-(methylamino)-, methyl ester

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 2846

Role

alias

Source

TCMBank

Preferred

Name

Dimethyl anthranilate (natural)

Role

alias

Source

TCMBank

Preferred

Name

EINECS 201-642-6

Role

alias

Source

TCMBank

Preferred

Name

FEMA No. 2718

Role

alias

Source

TCMBank

Preferred

Name

HSDB 2784

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H

Role

alias

Source

TCMBank

Preferred

Name

METHYL N-METHYLANTHRANILATE

Role

alias

Source

HERB_v2

Preferred

Name

MLS000515990

Role

alias

Source

TCMBank

Preferred

Name

Methyl 2-(methylamino)benzoate

Role

alias

Source

HERB_v2

Preferred

Name

Methyl 2-(methylamino)benzoate

Role

alias

Source

itcmdb_public

Preferred

Name

Methyl N-methyl anthranilate

Role

alias

Source

itcmdb_public

Preferred

Name

Methyl N-methyl-o-anthranilate

Role

alias

Source

TCMBank

Preferred

Name

Methyl methanthranilate

Role

alias

Source

HERB_v2

Preferred

Name

Methyl methanthranilate

Role

alias

Source

TCMBank

Preferred

Name

Methyl methanthranilate

Role

alias

Source

itcmdb_public

Preferred

Name

Methyl methylaminobenzoate

Role

alias

Source

HERB_v2

Preferred

Name

Methyl methylaminobenzoate

Role

alias

Source

TCMBank

Preferred

Name

Methyl methylaminobenzoate

Role

alias

Source

itcmdb_public

Preferred

Name

Methyl methylanthranilate

Role

alias

Source

HERB_v2

Preferred

Name

Methyl methylanthranilate

Role

alias

Source

TCMBank

Preferred

Name

Methyl methylanthranilate

Role

alias

Source

itcmdb_public

Preferred

Name

Methyl o-(methylamino)benzoate

Role

alias

Source

TCMBank

Preferred

Name

Methyl-N-methylanthranilate

Role

alias

Source

TCMBank

Preferred

Name

N-Methyl methyl anthranilate

Role

alias

Source

TCMBank

Preferred

Name

N-Methylanthranilic acid, methyl ester

Role

alias

Source

HERB_v2

Preferred

Name

N-Methylanthranilic acid, methyl ester

Role

alias

Source

TCMBank

Preferred

Name

N-Methylanthranilic acid, methyl ester

Role

alias

Source

itcmdb_public

Preferred

Name

NSC9406

Role

alias

Source

TCMBank

Preferred

Name

SMR000112458

Role

alias

Source

TCMBank

Preferred

Name

ST5407122

Role

alias

Source

TCMBank

Preferred

Name

W271802_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

W271810_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

WLN: 1OVR BM1

Role

alias

Source

TCMBank

Preferred

Name

ZINC00157414

Role

alias

Source

TCMBank

Preferred

Name

methyl 2-methylaminobenzoate

Role

alias

Source

TCMBank

Preferred

Name

Methyl N-methylanthranilat

Role

alias

Source

TCMBank

Preferred

Name

benzoicacid 2-methyl amino methyl ester MLS000515990

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

2-Methylaminomethyl benzoate2-methylaminobenzoic acid methyl ester4-14-00-01016 (Beilstein Handbook Reference)65820_FLUKA85-91-6AI3-03340Anthranilic acid, N-methyl-, methyl esterBENZOIC ACID METHYL ESTER,2-METHYLAMINO (N-METHYL-ANTHRANILIC ACID METHYL ESTER)BRN 0607217Benzoic acid, 2-(methylamino)-, methyl esterCCRIS 2846Dimethyl anthranilate (natural)EINECS 201-642-6FEMA No. 2718HSDB 2784InChI=1/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2HMETHYL N-METHYLANTHRANILATEMLS000515990Methyl 2-(methylamino)benzoateMethyl N-methyl anthranilateMethyl N-methyl-o-anthranilateMethyl methanthranilateMethyl methylaminobenzoateMethyl methylanthranilateMethyl o-(methylamino)benzoateMethyl-N-methylanthranilateN-Methyl methyl anthranilateN-Methylanthranilic acid, methyl esterNSC9406SMR000112458ST5407122W271802_ALDRICHW271810_ALDRICHWLN: 1OVR BM1ZINC00157414methyl 2-methylaminobenzoateMethyl N-methylanthranilatbenzoicacid 2-methyl amino methyl ester MLS000515990

Cross References

Trusted external identifiers retained for this final record.

Cas

85-91-6

Herb

HBIN024054

Npass

NPC173295

Tcmid

2225

Tcmsp

MOL003949

Sym Map

SMIT05948

Tcm Id

6372

Pub Chem

6826

Tcmbank

TCMBANKIN005423TCMBANKIN061380

Etcm Ingredient

Dimethyl anthranilate

Itcmdb Generated

ITX-INGREDIENT-6E6D119B2811

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3

Mol Wt

165.192

Cas Id

85-91-6

Smiles

CNC1=CC=CC=C1C(=O)OC

Mol Log P

1.5149

Version

v1,v2

In Ch Ikey

GVOWHGSUZUUUDR-UHFFFAOYSA-N

Ob Score

65.8688376965.86883865.869

Suppress

Num Hdonors

Drug Likeness

0.675

Num Hacceptors

Isomeric Smiles

CNC1=CC=CC=C1C(=O)OC

Molecule Weight

165.21

Canonical Smiles

CNC1=CC=CC=C1C(=O)OC

Herb Alias Names

Methyl 2-(methylamino)benzoate85-91-6METHYL N-METHYLANTHRANILATEMethyl methylaminobenzoateMethyl methanthranilateMethyl methylanthranilateMethyl N-methyl anthranilateBenzoic acid, 2-(methylamino)-, methyl esterN-Methylanthranilic acid, methyl ester

Molecular Weight

165.080

Molecular Weight

165.19

Molecular Formula

C9H11NO2

Molecular Formula

C9H11NO2

Molecular Formula

C9H11NO2

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.017

Quantitative Estimate Of Drug Likeness（Qed）

0.675