IngredientID 3342

Northalidasine

C10H9NO3

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Herb: 9Ingredient: 1Target: 12Links: 21

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 3342
Core Entity Id: 6901
Source Entity Count: 1
Preferred Name: Northalidasine
Name En
Pubchem Id: 89047
Smiles Canonical: C1CNC(=O)C2=CC3=C(C=C21)OCO3
Molecular Formula: C10H9NO3
Molecular Weight: 191.1860
Inchikey: VSOJKDUWYQCWFM-UHFFFAOYSA-N
Inchi: InChI=1S/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12)
Isomeric Smiles: C1CNC(=O)C2=CC3=C(C=C21)OCO3
Cas Id: 21796-14-5
Ob Score: 21.7400
Mol Logp: 0.7012
Num H Donors: 1
Num H Acceptors: 3
Num Rotatable Bonds: 0
Drug Likeness: 0.6560
Polar Surface Area: 47.6000
Molecular Volume
Alogp

Names

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

Name

Northalidasine

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

3,4-dihydro-6,7-methylenedioxy-1(2h)-isoquinolinone

Role

preferred

Source

TCMBank

Preferred

Yes

Name

3,4-dihydro-6,7-methylenedioxy-1(2h)-isoquinolinone

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

3,4-dihydro-6,7-methylenedioxy-1(2h)-isoquinolinone

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Noroxyhydrastinine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Noroxyhydrastinine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Noroxyhydrastinine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Noroxyhydrastinine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Northalidasine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Northalidasine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Northalidasine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

northalidasine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

高山唐松草

Role

TCM_name

Source

TCMBank

Preferred

Name

GAO SHAN TANG SONG CAO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Alpine Meadowrue

Role

TCM_name_en

Source

TCMBank

Preferred

Name

1,3-Dioxolo(4,5-g)isoquinolin-5(6H)-one, 7,8-dihydro-

Role

alias

Source

itcmdb_public

Preferred

Name

1,3-Dioxolo(4,5-g)isoquinolin-5(6H)-one, 7,8-dihydro-

Role

alias

Source

HERB_v2

Preferred

Name

1,3-Dioxolo(4,5-g)isoquinolin-5(6H)-one, 7,8-dihydro- (8CI)(9CI)

Role

alias

Source

TCMBank

Preferred

Name

1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one,7,8-dihydro-

Role

alias

Source

TCMBank

Preferred

Name

1,5-g]isoquinolin-5(6H)-one, 7,8-dihydro-

Role

alias

Source

TCMBank

Preferred

Name

21796-14-5

Role

alias

Source

TCMBank

Preferred

Name

21796-14-5

Role

alias

Source

HERB_v2

Preferred

Name

21796-14-5

Role

alias

Source

itcmdb_public

Preferred

Name

2H,6H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5-ONE

Role

alias

Source

TCMBank

Preferred

Name

6,7-methylenedioxy-1-oxo-1,2,3,4-tetrahydroisoquinoline

Role

alias

Source

TCMBank

Preferred

Name

7,8-DIHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5(6H)-ONE

Role

alias

Source

HERB_v2

Preferred

Name

7,8-Dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one

Role

alias

Source

itcmdb_public

Preferred

Name

7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one

Role

alias

Source

itcmdb_public

Preferred

Name

7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one

Role

alias

Source

TCMBank

Preferred

Name

7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one

Role

alias

Source

HERB_v2

Preferred

Name

7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one

Role

alias

Source

TCMBank

Preferred

Name

AC1L3H11

Role

alias

Source

TCMBank

Preferred

Name

AC1Q6NHB

Role

alias

Source

TCMBank

Preferred

Name

ACM21796145

Role

alias

Source

TCMBank

Preferred

Name

AK396339

Role

alias

Source

TCMBank

Preferred

Name

AKOS000277625

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL449731

Role

alias

Source

TCMBank

Preferred

Name

CTK4E7692

Role

alias

Source

TCMBank

Preferred

Name

DTXSID30176207

Role

alias

Source

TCMBank

Preferred

Name

FCH843447

Role

alias

Source

TCMBank

Preferred

Name

HMS2346J04

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12)

Role

alias

Source

TCMBank

Preferred

Name

MLS000546669

Role

alias

Source

TCMBank

Preferred

Name

MLS000546669

Role

alias

Source

HERB_v2

Preferred

Name

MLS000546669

Role

alias

Source

itcmdb_public

Preferred

Name

MolPort-000-881-842

Role

alias

Source

TCMBank

Preferred

Name

NCGC00247079-01

Role

alias

Source

TCMBank

Preferred

Name

NP-006295

Role

alias

Source

TCMBank

Preferred

Name

NSC 201020

Role

alias

Source

TCMBank

Preferred

Name

NSC-201020

Role

alias

Source

HERB_v2

Preferred

Name

NSC-201020

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL564339

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL564339

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL564339

Role

alias

Source

TCMBank

Preferred

Name

SMR000113841

Role

alias

Source

TCMBank

Preferred

Name

VSOJKDUWYQCWFM-UHFFFAOYSA-

Role

alias

Source

TCMBank

Preferred

Name

VSOJKDUWYQCWFM-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

ZINC1735195

Role

alias

Source

TCMBank

Preferred

Name

noroxyhydrastinine

Role

alias

Source

TCMBank

Preferred

Name

noroxoyhydrastinine

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

3,4-dihydro-6,7-methylenedioxy-1(2h)-isoquinolinoneNoroxyhydrastinine高山唐松草GAO SHAN TANG SONG CAOAlpine Meadowrue1,3-Dioxolo(4,5-g)isoquinolin-5(6H)-one, 7,8-dihydro-1,3-Dioxolo(4,5-g)isoquinolin-5(6H)-one, 7,8-dihydro- (8CI)(9CI)1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one,7,8-dihydro-1,5-g]isoquinolin-5(6H)-one, 7,8-dihydro-21796-14-52H,6H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5-ONE6,7-methylenedioxy-1-oxo-1,2,3,4-tetrahydroisoquinoline7,8-DIHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5(6H)-ONE7,8-Dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-oneAC1L3H11AC1Q6NHBACM21796145AK396339AKOS000277625CHEMBL449731CTK4E7692DTXSID30176207FCH843447HMS2346J04InChI=1/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12)MLS000546669MolPort-000-881-842NCGC00247079-01NP-006295NSC 201020NSC-201020SCHEMBL564339SMR000113841VSOJKDUWYQCWFM-UHFFFAOYSA-VSOJKDUWYQCWFM-UHFFFAOYSA-NZINC1735195noroxoyhydrastinine

Cross References

Trusted external identifiers retained for this final record.

Cas

21796-14-5

Herb

HBIN007361HBIN037372HBIN037391HBIN037371

Npass

NPC77572

Tcmid

1577837868

Tcmsp

MOL002900MOL008795

Sym Map

SMIT05062SMIT10018SMIT16923

Tcm Id

8291

Pub Chem

89047

Tcmbank

TCMBANKIN025192TCMBANKIN030282TCMBANKIN044371TCMBANKIN058636

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12)

Mol Wt

191.186

Cas Id

21796-14-5

Smiles

C1CNC(=O)C2=CC3=C(C=C21)OCO3

Mol Log P

0.7012

Version

v1,v2

In Ch Ikey

VSOJKDUWYQCWFM-UHFFFAOYSA-N

Ob Score

21.7421.74002321.7400230438.88838.88839338.88839327

Suppress

Tcm Name

高山唐松草

Tcm Name2

GAO SHAN TANG SONG CAO

Mol2 Path

/TCM_database/2007_3d_all/15787.mol2

Reference

1521, 2737, 2738

Num Hdonors

Tcm Name En

Alpine Meadowrue

Drug Likeness

0.656

Num Hacceptors

Isomeric Smiles

C1CNC(=O)C2=CC3=C(C=C21)OCO3

Molecule Weight

191.2638.82

Canonical Smiles

C1CNC(=O)C2=CC3=C(C=C21)OCO3

Molecular Weight

191.18

Molecule Formula

C10H9NO3

Molecular Formula

C10H9NO3

Molecular Formula

C10H9NO3

Num Rotatable Bonds

Link Ingredient Id

5062.0