Molecule

(17E)-17-ethylidene-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹?.0?,?.0¹³,¹?]icosa-2(10),4,6,8-tetraene-7,14-diol

AlkaPlorer ID: AK339913

Synonym: None

IUPAC Name: (1S,12S,13R,14R,17E,18R)-17-ethylidene-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7-tetraene-7,14-diol

Structure

SMILES: C/C=C1/CO[C@@H](O)[C@H]2[C@@H]3CC4=C(NC5=CC=C(O)C=C45)[C@H](C[C@@H]12)N3

InChI: InChI=1S/C19H22N2O3/c1-2-9-8-24-19(23)17-11(9)6-16-18-13(7-15(17)20-16)12-5-10(22)3-4-14(12)21-18/h2-5,11,15-17,19-23H,6-8H2,1H3/b9-2-/t11-,15-,16-,17+,19+/m0/s1

InChIKey: BAVRLOVTOBIXTQ-KSSDEEOOSA-N

Reference

Isolation and Structure Elucidation of a New Indole Alkaloid from Rauvolfia serpentina Hairy Root Culture: The First Naturally Occurring Alkaloid of the Raumacline Group

PubChem CID: 163188789

LOTUS: LTS0072947

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Rauvolfia serpentina	Rauvolfia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 326.396

TPSA？: 77.51

MolLogP？: 2.3599

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi