Molecule

Norfluorocurarine

AlkaPlorer ID: AK034528

Synonym: 'C-Norcurarine III', 'nor-C-Fluorocurarine', '(-)-Norfluorocurarine'

IUPAC Name: (1R,11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde

Structure

SMILES: C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)NC1=CC=CC=C14

InChI: InChI=1S/C19H20N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h2-6,11,13,17,20H,7-10H2,1H3/b12-2-/t13-,17-,19+/m0/s1

InChIKey: VFUITWPFKLGEQA-UQZDHWHBSA-N

Reference

Alkaloids from Alstonia angustifolia

PubChem CID: 5581319

CAS: 6880-54-2

LOTUS: LTS0041910

SuperNatural Ⅲ: SN0389127-11

NPASS: NPC228944

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Youngia japonica	Youngia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ochrosia elliptica	Ochrosia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Evolvulus pilosus	Evolvulus	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 292.382

TPSA？: 32.34

MolLogP？: 2.857000000000001

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT001513	C/C=C1/CN2CC[C@@]34C(=Nc5ccccc53)C(C=O)(C(=O)OC)[C@H]1C[C@H]24>>C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1ccccc14	RXN-22114
AKRT001515	C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1ccccc14>>O=C[C@H]1[C@@H]2Nc3ccccc3[C@@]23CCN2C/C(=C/CO)[C@@H]1C[C@H]23	RXN-22115