Molecule

Plicane; 5,6-Dihydro, N5-[2-(4-hydroxyphenyl)ethyl]

AlkaPlorer ID: AK310739

Synonym: 5-Deoxoplicamine, Obliquine

IUPAC Name: 12-[2-(4-hydroxyphenyl)ethyl]-18-methoxy-15-methyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one

Structure

SMILES: COC1C=CC23C4=CC5=C(C=C4CN(CCC4=CC=C(O)C=C4)C2C(=O)N(C)C3C1)OCO5

InChI: InChI=1S/C26H28N2O5/c1-27-23-12-19(31-2)7-9-26(23)20-13-22-21(32-15-33-22)11-17(20)14-28(24(26)25(27)30)10-8-16-3-5-18(29)6-4-16/h3-7,9,11,13,19,23-24,29H,8,10,12,14-15H2,1-2H3

InChIKey: MNZZTIOCKJEHEP-UHFFFAOYSA-N

Reference

A dinitrogenous alkaloid from Cyrtanthus obliquus

PubChem CID: 72768089

CAS: 489433-06-9

LOTUS: LTS0222329

COCONUT: CNP0153682.2

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Zephyranthes candida	Zephyranthes	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cyrtanthus obliquus	Cyrtanthus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Narcissus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Narcissus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 448.5190000000002

TPSA？: 71.47000000000001

MolLogP？: 2.6011

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi