Molecule

Decaline

AlkaPlorer ID: AK043376

Synonym: '', 'Decaline'

IUPAC Name: (9S,15S,17S)-5,6-dimethoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-one

Structure

SMILES: COC1=CC2=C(C=C1OC)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)CCC1=CC=C(C=C1)O2

InChI: InChI=1S/C26H31NO5/c1-29-24-15-21-22-14-20(13-18-5-3-4-12-27(18)22)32-26(28)11-8-17-6-9-19(10-7-17)31-23(21)16-25(24)30-2/h6-7,9-10,15-16,18,20,22H,3-5,8,11-14H2,1-2H3/t18-,20-,22-/m0/s1

InChIKey: PXXNTAGJWPJAGM-VCOUNFBDSA-N

Reference

Lythraceae Alkaloids. I. Isolation and Structural Studies of the Alkaloids of Decodon verticillatus (L.) Ell.<sup>1</sup>

PubChem CID: 167158

CAS: 14727-56-1

LOTUS: LTS0116642

SuperNatural Ⅲ: SN0298142-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Decodon verticillatus	Decodon	Lythraceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 437.5360000000002

TPSA？: 57.23

MolLogP？: 5.043500000000004

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi