Molecule

(1S,5R,8R,9R,10R,11S,12R,13S,15S,16R)-12-(hydroxymethyl)-5,7-dimethyl-7-azahexacyclo[7.6.2.2¹⁰,¹³.0¹,⁸.0⁵,¹⁶.0¹⁰,¹⁵]nonadecane-11,12-diol

AlkaPlorer ID: AK318622

Synonym: None

IUPAC Name: (1S,5R,10R,11S,12R,13S,15S,16R)-12-(hydroxymethyl)-5,7-dimethyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,12-diol

Structure

SMILES: CN1C[C@]2(C)CCC[C@]34C1C(C[C@H]23)[C@@]12CC[C@@H](C[C@H]14)[C@@](O)(CO)[C@H]2O

InChI: InChI=1S/C21H33NO3/c1-18-5-3-6-20-14(18)9-13(16(20)22(2)10-18)19-7-4-12(8-15(19)20)21(25,11-23)17(19)24/h12-17,23-25H,3-11H2,1-2H3/t12-,13?,14+,15+,16?,17-,18-,19-,20-,21-/m0/s1

InChIKey: UZVALMFEKMFXEX-VSMATSSMSA-N

Reference

Crystal and molecular structure of the alkaloid dictysine

PubChem CID: 102465295

LOTUS: LTS0228906

NPASS: NPC146319

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Zanthoxylum ailanthoides	Zanthoxylum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Zanthoxylum planispinum	Zanthoxylum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Zanthoxylum arnottianum	Zanthoxylum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum carmichaelii	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Boenninghausenia albiflora	Boenninghausenia	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 347.499

TPSA？: 63.93000000000001

MolLogP？: 1.6272999999999995

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi