IngredientID 31452

Quinidine

C20H24N2O2

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Trial: 8Herb: 12Ingredient: 1Target: 12Links: 32

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 31452
Core Entity Id: 38147
Source Entity Count: 1
Preferred Name: Quinidine
Name En
Pubchem Id: 24867865
Smiles Canonical: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
Molecular Formula: C20H24N2O2
Molecular Weight: 324.4240
Inchikey: DKRSEIPLAZTSFD-LSDHHAIUSA-N
Inchi: InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
Isomeric Smiles: COC1=CC2=C(C=CN=C2C=C1)C(=O)CC[C@@H]3CCNC[C@@H]3C=C
Cas Id: 52211-63-9
Ob Score: 75.4430
Mol Logp: 3.1732
Num H Donors: 1
Num H Acceptors: 4
Num Rotatable Bonds: 4
Drug Likeness: 0.6510
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Quinicine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Quinicine

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Quinicine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Quinicine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Quinicine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Quinidine

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Quinidine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Quinidine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

quinidine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(+)-Quinidine

Role

alias

Source

HERB_v2

Preferred

Name

(+)-Quinidine

Role

alias

Source

itcmdb_public

Preferred

Name

(8R,9S)-Quinidine

Role

alias

Source

itcmdb_public

Preferred

Name

(8R,9S)-Quinidine

Role

alias

Source

HERB_v2

Preferred

Name

(9S)-6'-Methoxycinchonan-9-ol

Role

alias

Source

HERB_v2

Preferred

Name

(9S)-6'-Methoxycinchonan-9-ol

Role

alias

Source

itcmdb_public

Preferred

Name

1-(6-Methoxyquinolin-4-yl)-3-((3R,4R)-3-vinylpiperidin-4-yl)propan-1-one

Role

alias

Source

HERB_v2

Preferred

Name

1-(6-Methoxyquinolin-4-yl)-3-((3R,4R)-3-vinylpiperidin-4-yl)propan-1-one

Role

alias

Source

itcmdb_public

Preferred

Name

56-54-2

Role

alias

Source

HERB_v2

Preferred

Name

56-54-2

Role

alias

Source

itcmdb_public

Preferred

Name

84-55-9

Role

alias

Source

itcmdb_public

Preferred

Name

84-55-9

Role

alias

Source

HERB_v2

Preferred

Name

Chinidin

Role

alias

Source

itcmdb_public

Preferred

Name

Chinidin

Role

alias

Source

HERB_v2

Preferred

Name

Conchinin

Role

alias

Source

itcmdb_public

Preferred

Name

Conchinin

Role

alias

Source

HERB_v2

Preferred

Name

Conquinine

Role

alias

Source

itcmdb_public

Preferred

Name

Conquinine

Role

alias

Source

HERB_v2

Preferred

Name

LM 192

Role

alias

Source

HERB_v2

Preferred

Name

LM 192

Role

alias

Source

itcmdb_public

Preferred

Name

Pitayine

Role

alias

Source

itcmdb_public

Preferred

Name

Pitayine

Role

alias

Source

HERB_v2

Preferred

Name

UNII-48T4S8667S

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-48T4S8667S

Role

alias

Source

HERB_v2

Preferred

Name

VIQUIDIL [INN]

Role

alias

Source

itcmdb_public

Preferred

Name

VIQUIDIL [INN]

Role

alias

Source

HERB_v2

Preferred

Name

VIQUIDIL [MI]

Role

alias

Source

itcmdb_public

Preferred

Name

VIQUIDIL [MI]

Role

alias

Source

HERB_v2

Preferred

Name

Viquidil

Role

alias

Source

itcmdb_public

Preferred

Name

Viquidil

Role

alias

Source

HERB_v2

Preferred

Name

Viquidil [INN:DCF]

Role

alias

Source

itcmdb_public

Preferred

Name

Viquidil [INN:DCF]

Role

alias

Source

HERB_v2

Preferred

Name

Viquidilum

Role

alias

Source

HERB_v2

Preferred

Name

Viquidilum

Role

alias

Source

itcmdb_public

Preferred

Name

Viquidilum [INN-Latin]

Role

alias

Source

HERB_v2

Preferred

Name

Viquidilum [INN-Latin]

Role

alias

Source

itcmdb_public

Preferred

Name

beta-Quinine

Role

alias

Source

HERB_v2

Preferred

Name

beta-Quinine

Role

alias

Source

itcmdb_public

Preferred

Name

quinicine

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Quinicine(+)-Quinidine(8R,9S)-Quinidine(9S)-6'-Methoxycinchonan-9-ol1-(6-Methoxyquinolin-4-yl)-3-((3R,4R)-3-vinylpiperidin-4-yl)propan-1-one56-54-284-55-9ChinidinConchininConquinineLM 192PitayineUNII-48T4S8667SVIQUIDIL [INN]VIQUIDIL [MI]ViquidilViquidil [INN:DCF]ViquidilumViquidilum [INN-Latin]beta-Quinine

Cross References

Trusted external identifiers retained for this final record.

Cas

52211-63-956-54-2

Hit

C0953

Herb

HBIN041752HBIN041753

Npass

NPC264166

Tcmid

1840718408

Tcmsp

MOL011072

Sym Map

SMIT12024SMIT17408

Tcm Id

1352313524135251352613527135281406146641501615017187571875818759187601876118762

Pub Chem

2486786544107465753

Tcmbank

TCMBANKIN014817TCMBANKIN033482

Etcm Ingredient

QuinicineQuinidine

Itcmdb Generated

ITX-INGREDIENT-3350666074A9ITX-INGREDIENT-9200CA37BC88

Attributes

Merged source attributes and domain-specific metadata.

In Ch I

InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1InChI=1S/C20H24N2O2/c1-3-14-13-21-10-8-15(14)4-7-20(23)17-9-11-22-19-6-5-16(24-2)12-18(17)19/h3,5-6,9,11-12,14-15,21H,1,4,7-8,10,13H2,2H3/t14-,15+/m0/s1

Mol Wt

324.424324.4240000000001

Cas Id

52211-63-9

Smiles

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O

Mol Log P

3.1732000000000023.618000000000002

Version

v1,v2

In Ch Ikey

DKRSEIPLAZTSFD-LSDHHAIUSA-NLOUPRKONTZGTKE-LHHVKLHASA-N

Ob Score

75.44375.44318275.44318243

Suppress

Num Hdonors

Drug Likeness

0.6510.878

Num Hacceptors

Isomeric Smiles

COC1=CC2=C(C=CN=C2C=C1)C(=O)CC[C@@H]3CCNC[C@@H]3C=CCOC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O

Molecule Weight

324.46

Canonical Smiles

COC1=CC2=C(C=CN=C2C=C1)C(=O)CCC3CCNCC3C=CCOC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O

Herb Alias Names

Viquidil84-55-91-(6-Methoxyquinolin-4-yl)-3-((3R,4R)-3-vinylpiperidin-4-yl)propan-1-oneViquidilumViquidil [INN:DCF]Viquidilum [INN-Latin]LM 192UNII-48T4S8667SVIQUIDIL [INN]VIQUIDIL [MI]

Molecular Weight

324.180

Molecular Weight

324.4 g/mol324.42

Molecular Formula

C20H24N2O2

Molecular Formula

C20H24N2O2

Molecular Formula

C20H24N2O2

Num Rotatable Bonds

Link Ingredient Id

12024.0

Fda Maximum Daily Dose (Fdamdd)

0.4460.456

Quantitative Estimate Of Drug Likeness（Qed）

0.6510.878