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: AK493128
Synonym: None
IUPAC Name: [(1S)-1-[(1R,5R,6S,9R,11S,12R,14R)-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)O[C@@H](C)C2=CC[C@@]34OCCN(C)C[C@@]23C[C@@H](O)[C@]23O[C@]5(O)CC[C@@]2(C)[C@H](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/t20-,21+,25+,28-,29-,30+,31-,32-/m0/s1
InChIKey: PRSLQQJCHZFAHB-PZCWOAKJSA-N
Reference
Homobatrachotoxin in the Genus <i>Pitohui</i> : Chemical Defense in Birds?
PubChem CID: 15559654
LOTUS: LTS0033106
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 |
|---|