Molecule

Zygadenine

AlkaPlorer ID: AK016122

Synonym: '', 'Zygadenine'

IUPAC Name: (1S,2S,6S,9S,10S,11R,12S,13S,14S,15S,18S,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,22,23-hexol

Structure

SMILES: C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14O[C@@]5(O)[C@@H](CC[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O

InChI: InChI=1S/C27H43NO7/c1-13-4-7-18-24(3,32)20-14(12-28(18)11-13)15-10-25-17(26(15,33)22(31)21(20)30)6-5-16-23(25,2)9-8-19(29)27(16,34)35-25/h13-22,29-34H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20+,21-,22-,23-,24+,25+,26-,27-/m0/s1

InChIKey: NPNDUIMQBJIGQS-GTWCRJIHSA-N

Reference

Studies on the constituents of Veratrum plants. I. Constituents of Veratrum maackii Reg.; isolation and structure determination of a new alkaloid, maackinine.

PubChem CID: 162881092

LOTUS: LTS0242955

SuperNatural Ⅲ: SN0251851-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Veratrum maackii	Veratrum	Melanthiaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 493.6410000000004

TPSA？: 133.85000000000002

MolLogP？: 0.2151000000000006

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi