IngredientID 12920

Bornyl formate

C11H18O2

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Herb: 4Ingredient: 1Links: 4

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 12920
Core Entity Id: 17531
Source Entity Count: 1
Preferred Name: Bornyl formate
Name En
Pubchem Id: 13428328
Smiles Canonical: CC1(C2CCC1(C(C2)OC=O)C)C
Molecular Formula: C11H18O2
Molecular Weight: 182.2630
Inchikey: RDWUNORUTVEHJF-INWMGODYSA-N
Inchi: InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3
Isomeric Smiles: CC1(C2CCC1(C(C2)OC=O)C)C
Cas Id
Ob Score
Mol Logp: 2.3742
Num H Donors: 0
Num H Acceptors: 2
Num Rotatable Bonds: 2
Drug Likeness: 0.6130
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Bornyl Formate

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Bicyclo[ 2.2.1] heptan-2-ol, 1, 7, 7-trimethyl-, formate, endo

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Bicyclo[ 2.2.1] heptan-2-ol,1,7,7-trimethyl-,formate,endo

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Bicyclo[ 2.2.1] heptan-2-ol,1,7,7-trimethyl-,formate,endo

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Bornyl Formate

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Bornyl formate

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Bornyl formate

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

bornyl formate

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate

Role

alias

Source

HERB_v2

Preferred

Name

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate

Role

alias

Source

itcmdb_public

Preferred

Name

(1,7,7-trimethylnorbornan-2-yl) formate

Role

alias

Source

SymMap_v2

Preferred

Name

(1,7,7-trimethylnorbornan-2-yl) formate

Role

alias

Source

TCMBank

Preferred

Name

(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) formate

Role

alias

Source

SymMap_v2

Preferred

Name

(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) formate

Role

alias

Source

TCMBank

Preferred

Name

1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL FORMATE

Role

alias

Source

SymMap_v2

Preferred

Name

1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL FORMATE

Role

alias

Source

TCMBank

Preferred

Name

1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL FORMATE

Role

alias

Source

HERB_v2

Preferred

Name

1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL FORMATE

Role

alias

Source

itcmdb_public

Preferred

Name

1,7,7-Trimethyl-formateendo-Bicyclo(2.2.1)heptan-2-ol

Role

alias

Source

SymMap_v2

Preferred

Name

1,7,7-Trimethyl-formateendo-Bicyclo(2.2.1)heptan-2-ol

Role

alias

Source

HERB_v2

Preferred

Name

1,7,7-Trimethyl-formateendo-Bicyclo[2.2.1]heptan-2-ol

Role

alias

Source

TCMBank

Preferred

Name

1,7,7-Trimethyl-formateendo-Bicyclo[2.2.1]heptan-2-ol

Role

alias

Source

itcmdb_public

Preferred

Name

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate

Role

alias

Source

TCMBank

Preferred

Name

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate

Role

alias

Source

SymMap_v2

Preferred

Name

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate, endo-

Role

alias

Source

HERB_v2

Preferred

Name

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate, endo-

Role

alias

Source

itcmdb_public

Preferred

Name

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate, exo-

Role

alias

Source

SymMap_v2

Preferred

Name

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate, exo-

Role

alias

Source

TCMBank

Preferred

Name

1200-67-5

Role

alias

Source

SymMap_v2

Preferred

Name

1200-67-5

Role

alias

Source

TCMBank

Preferred

Name

2-Camphanyl formate

Role

alias

Source

TCMBank

Preferred

Name

2-Camphanyl formate

Role

alias

Source

SymMap_v2

Preferred

Name

74219-20-8

Role

alias

Source

HERB_v2

Preferred

Name

74219-20-8

Role

alias

Source

itcmdb_public

Preferred

Name

7492-41-3

Role

alias

Source

HERB_v2

Preferred

Name

7492-41-3

Role

alias

Source

TCMBank

Preferred

Name

7492-41-3

Role

alias

Source

SymMap_v2

Preferred

Name

7492-41-3

Role

alias

Source

itcmdb_public

Preferred

Name

AC1LAQSH

Role

alias

Source

TCMBank

Preferred

Name

AC1LAQSH

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS017341556

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS017341556

Role

alias

Source

TCMBank

Preferred

Name

AN-20111

Role

alias

Source

SymMap_v2

Preferred

Name

AN-20111

Role

alias

Source

TCMBank

Preferred

Name

Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-formate, (1R,2R,4R)-rel-

Role

alias

Source

SymMap_v2

Preferred

Name

Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-formate, (1R,2R,4R)-rel-

Role

alias

Source

TCMBank

Preferred

Name

Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, (1R,2R,4R)-rel-

Role

alias

Source

TCMBank

Preferred

Name

Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, (1R,2R,4R)-rel-

Role

alias

Source

SymMap_v2

Preferred

Name

Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, endo-

Role

alias

Source

itcmdb_public

Preferred

Name

Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, endo-

Role

alias

Source

HERB_v2

Preferred

Name

Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, exo-

Role

alias

Source

TCMBank

Preferred

Name

Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, exo-

Role

alias

Source

HERB_v2

Preferred

Name

Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, exo-

Role

alias

Source

SymMap_v2

Preferred

Name

Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, exo-

Role

alias

Source

itcmdb_public

Preferred

Name

Borneol, formate

Role

alias

Source

HERB_v2

Preferred

Name

Borneol, formate

Role

alias

Source

TCMBank

Preferred

Name

Borneol, formate

Role

alias

Source

SymMap_v2

Preferred

Name

Borneol, formate

Role

alias

Source

itcmdb_public

Preferred

Name

Bornyl formate

Role

alias

Source

HERB_v2

Preferred

Name

Bornyl formate

Role

alias

Source

SymMap_v2

Preferred

Name

Bornyl formate

Role

alias

Source

TCMBank

Preferred

Name

Bornyl formate

Role

alias

Source

itcmdb_public

Preferred

Name

Bornyl methanoate

Role

alias

Source

TCMBank

Preferred

Name

Bornyl methanoate

Role

alias

Source

SymMap_v2

Preferred

Name

CTK5E0688

Role

alias

Source

TCMBank

Preferred

Name

CTK5E0688

Role

alias

Source

SymMap_v2

Preferred

Name

Endo-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl formate

Role

alias

Source

TCMBank

Preferred

Name

Endo-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl formate

Role

alias

Source

SymMap_v2

Preferred

Name

Endo-2-Bornanyl formate

Role

alias

Source

TCMBank

Preferred

Name

Endo-2-Bornanyl formate

Role

alias

Source

SymMap_v2

Preferred

Name

Endoisobornylformate

Role

alias

Source

SymMap_v2

Preferred

Name

Endoisobornylformate

Role

alias

Source

TCMBank

Preferred

Name

FEMA 2161

Role

alias

Source

SymMap_v2

Preferred

Name

FEMA 2161

Role

alias

Source

TCMBank

Preferred

Name

FT-0694325

Role

alias

Source

TCMBank

Preferred

Name

FT-0694325

Role

alias

Source

SymMap_v2

Preferred

Name

Formic acid isobornyl ester

Role

alias

Source

SymMap_v2

Preferred

Name

Formic acid isobornyl ester

Role

alias

Source

TCMBank

Preferred

Name

Isoborneol, formate

Role

alias

Source

SymMap_v2

Preferred

Name

Isoborneol, formate

Role

alias

Source

TCMBank

Preferred

Name

Isobornyl formate

Role

alias

Source

SymMap_v2

Preferred

Name

Isobornyl formate

Role

alias

Source

TCMBank

Preferred

Name

Isobornyl formate

Role

alias

Source

itcmdb_public

Preferred

Name

Isobornyl formate

Role

alias

Source

HERB_v2

Preferred

Name

RDWUNORUTVEHJF-INWMGODYSA-N

Role

alias

Source

HERB_v2

Preferred

Name

RDWUNORUTVEHJF-INWMGODYSA-N

Role

alias

Source

itcmdb_public

Preferred

Name

RDWUNORUTVEHJF-UHFFFAOYSA-N

Role

alias

Source

SymMap_v2

Preferred

Name

RDWUNORUTVEHJF-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL309630

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL309630

Role

alias

Source

SymMap_v2

Preferred

Name

[(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] formate

Role

alias

Source

HERB_v2

Preferred

Name

[(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] formate

Role

alias

Source

itcmdb_public

Preferred

Name

endo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl formate

Role

alias

Source

SymMap_v2

Preferred

Name

endo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl formate

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Bicyclo[ 2.2.1] heptan-2-ol, 1, 7, 7-trimethyl-, formate, endoBicyclo[ 2.2.1] heptan-2-ol,1,7,7-trimethyl-,formate,endo(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate(1,7,7-trimethylnorbornan-2-yl) formate(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) formate1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL FORMATE1,7,7-Trimethyl-formateendo-Bicyclo(2.2.1)heptan-2-ol1,7,7-Trimethyl-formateendo-Bicyclo[2.2.1]heptan-2-ol1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate, endo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate, exo-1200-67-52-Camphanyl formate74219-20-87492-41-3AC1LAQSHAKOS017341556AN-20111Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-formate, (1R,2R,4R)-rel-Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, (1R,2R,4R)-rel-Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, endo-Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, exo-Borneol, formateBornyl methanoateCTK5E0688Endo-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl formateEndo-2-Bornanyl formateEndoisobornylformateFEMA 2161FT-0694325Formic acid isobornyl esterIsoborneol, formateIsobornyl formateRDWUNORUTVEHJF-INWMGODYSA-NRDWUNORUTVEHJF-UHFFFAOYSA-NSCHEMBL309630[(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] formateendo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl formate

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN018409HBIN018749

Npass

NPC245939

Tcmid

2405541192

Sym Map

SMIT18509

Tcm Id

6140

Pub Chem

13428328236238685184726432696

Tcmbank

TCMBANKIN012736TCMBANKIN018633

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8?,9-,11?/m1/s1

Mol Wt

182.263

Smiles

CC1(C2CCC1(C(C2)OC=O)C)C

Mol Log P

2.3742

Version

v1,v2

In Ch Ikey

RDWUNORUTVEHJF-INWMGODYSA-NRDWUNORUTVEHJF-UHFFFAOYSA-N

Suppress

Num Hdonors

Drug Likeness

0.613

Num Hacceptors

Isomeric Smiles

CC1(C2CCC1(C(C2)OC=O)C)CCC1(C2CCC1([C@@H](C2)OC=O)C)C

Canonical Smiles

CC1(C2CCC1(C(C2)OC=O)C)C

Herb Alias Names

Borneol, formateBornyl formate[(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] formateBicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, endo-7492-41-3RDWUNORUTVEHJF-INWMGODYSA-N1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate, endo-

Molecular Weight

182.26 g/mol

Molecular Formula

C11H18O2

Molecular Formula

C11H18O2

Num Rotatable Bonds