Molecule

1'-(6-aminopyridin-3-yl)-6-[1-(2-hydroxyethyl)cyclopentyl]-3'-methyl-7-oxo-3,3',4',7-tetrahydro-1'H-spiro[furo[3,2-g]chromene-2,2'-naphthalen]-3'-yl (2E)-2-methylbut-2-enoate

AlkaPlorer ID: AK213081

Synonym: None

IUPAC Name: [(2S,3R,4R)-4-(6-aminopyridin-3-yl)-6'-[1-(2-hydroxyethyl)cyclopentyl]-2-methyl-7'-oxospiro[1,4-dihydronaphthalene-3,2'-3H-furo[3,2-g]chromene]-2-yl] (E)-2-methylbut-2-enoate

Structure

SMILES: C/C=C(\C)C(=O)O[C@@]1(C)CC2=CC=CC=C2[C@H](C2=CC=C(N)N=C2)[C@]12CC1=CC3=C(C=C1O2)OC(=O)C(C1(CCO)CCCC1)=C3

InChI: InChI=1S/C38H40N2O6/c1-4-23(2)34(42)46-36(3)20-24-9-5-6-10-28(24)33(25-11-12-32(39)40-22-25)38(36)21-27-17-26-18-29(37(15-16-41)13-7-8-14-37)35(43)44-30(26)19-31(27)45-38/h4-6,9-12,17-19,22,33,41H,7-8,13-16,20-21H2,1-3H3,(H2,39,40)/b23-4+/t33-,36-,38+/m0/s1

InChIKey: KJDPZEBBKNQZHO-XRERNHMMSA-N

Reference

The chemical constituents of Australian Zanthoxylum species. III. The constituents of Z. parviflorum Benth.; The structure of parvifloral; Some observations on the biogenesis of furoquinoline alkaloids

PubChem CID: 162826858

SuperNatural Ⅲ: SN0184163-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 620.746

TPSA？: 124.88

MolLogP？: 6.294400000000008

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi