Molecule

1-{9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.1?,?.0¹,¹?.0²,¹¹.0?,¹¹]tricosa-2,21-dien-22-yl}ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

AlkaPlorer ID: AK088244

Synonym: None

IUPAC Name: 1-(9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl)ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Structure

SMILES: CCC1=C(C(=O)OC(C)C2=CCC34OCCN(C)CC23CC(O)C23OC5(O)CCC2(C)C(CC=C43)C5)C(C)=CN1

InChI: InChI=1S/C32H44N2O6/c1-6-23-26(19(2)17-33-23)27(36)39-20(3)22-9-10-31-24-8-7-21-15-30(37)12-11-28(21,4)32(24,40-30)25(35)16-29(22,31)18-34(5)13-14-38-31/h8-9,17,20-21,25,33,35,37H,6-7,10-16,18H2,1-5H3

InChIKey: PRSLQQJCHZFAHB-UHFFFAOYSA-N

Reference

Structure of batrachotoxin, a steroidal alkaloid from the Colombian arrow poison frog, phyllobates aurotaenia, and partial synthesis of batrachotoxin and its analogs and homologs

PubChem CID: 15559653

LOTUS: LTS0177469

COCONUT: CNP0234744

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Phyllobates aurotaenia	Phyllobates	Dendrobatidae	Anura	Amphibia	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 552.7120000000003

TPSA？: 104.25

MolLogP？: 3.806820000000002

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi