UCSF

ZINC19418974

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 30 Yes

Popular Name: Noscapine Noscapine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 116750-06-2 , 128-62-1 , 3860-46-6 , 912-60-7 , [128-62-1] , [912-60-7]

Other Names:

( -)-Noscapine; ( -)-alpha-Narcotine; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-((5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (3S)-rel-; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-d

(+/-) a-Narcotine;(.+-.)-alpha-narcotine;(.+-.)-Narcotine;a-Gnoscopine;alpha-Gnoscopine;DL-narcotine;Gnoscopine

(-)-a-Narcotine;alpha-Narcotine;Capval;Coscopin;L-alpha-Narcotine;Longatin;Lyobex;Methoxyhydrastine;Narcompren;Narcosine;Narcotin;Narcotussin;Narkotin;Nectadon;Nicolane;Nipaxon;Noscapal;Noscapalin;Noscapin;Noscapine (JP15/USP/INN);Noscopine;O-Methylnarcot

(-)-alpha-Narcotine

(-)-alpha-narcotine; (-)-narcotine

(-)-noscapine

(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one

(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one

(±)-alpha-Narcotine

(S)-6,7-Dimethoxy-3-((R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one

pin(e)

1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R*,R*))-; L-beta-Narcotine; LS-84359; beta-Narcotine

1(3H)-isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-

128-62-1; C09592; Noscapine; alpha-Narcotine

128-62-1; D01036; Noscapine (JP16/USP/INN); Noscapine (TN)

128-62-1; Noscapine; Prestwick_959

2-Furancarboxaldehyde,5-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-

52

6,7-dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one

Anarkotin

BRD-A77907596-001-01-9

BRD-K89237706-001-03-8

CHEBI:10321

D02172; Noscapine hydrochloride hydrate (JP16)

Gnoscopine

INN

INN); Noscapine HCl (JAN

JAN

LS-96014; Morphine narcotine meconate; Morphine noscapine meconate; Narcophin; Narcophine; Narcotine, compd. with 7,8-didehydro-4,5-alpha-epoxy-17-methylmorphinan-3,6-alpha-diol and 3-hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid (1:1:1)

MFCD00069316

MFCD00082546

MFCD00127721

MI

N/A

Narcotine

Nascopine

NF)

noscapina; noscapine; noscapinum

Noscapine (BAN

Noscapine HCl

Noscapine hydrochloride

Opianine

Tusscapine

USP

USP); Noscapine HCl (JAN

USP); Noscapine Hydrochloride (JAN

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.82 5.92 -13.73 0 8 0 76 413.426 4 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.25 Bitter DB
biological_use Antitussive agent, of similar potency to and poss. with some advantages over codeine. IBScreen Bioactives
Therapy Antitussive; naturally occurring opium alkaloid SMDC Iconix
UniProt Database Links DIOX1_PAPSO; DIOX2_PAPSO; DIOX3_PAPSO ChEBI
PUBCHEM_PATENT_ID EP0031234A1; EP0038585A1; EP0129284A2; EP0129285A2; EP0129285B1; EP0132472A1; EP0153836A2; EP0177368A2; EP0185442A2; EP0190826A2; EP0203768A2; EP0203768B2; EP0211991A1; EP0214051A2; EP0214905A2; EP0216696A2; EP0219371A2; EP0219458A2; EP0227603A2; EP023393 IBM Patent Data
biological_use Mod. effective smooth muscle relaxant. IBScreen Bioactives
Target Others Selleck Chemicals
Reactome Database Links REACT_15538; REACT_163726; REACT_22239; REACT_22289 ChEBI
mechanism Sigma receptor agonist IBScreen Bioactives

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Class C/3 (Metabotropic glutamate/pheromone receptors)
G alpha (i) signalling events

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.