Molecule

Cyclobuxine D

AlkaPlorer ID: AK015417

Synonym: '', 'Cyclobuxine', 'Cyclobuxine D'

IUPAC Name: (1S,3R,6S,8R,11S,12S,14R,15S,16R)-12,16-dimethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]-7-methylidenepentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol

Structure

SMILES: C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13

InChI: InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1

InChIKey: BSNZFQANPMIOIU-WZBMPAQFSA-N

Reference

Buxus Alkaloids. III.<sup>1</sup> The Structure of Cyclobuxine

PubChem CID: 260437

CAS: 2241-90-9

LOTUS: LTS0274380

SuperNatural Ⅲ: SN0034277-08

NPASS: NPC41482

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Buxus microphylla	Buxus	Buxaceae	Buxales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Buxus wallichiana	Buxus	Buxaceae	Buxales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gynostemma pentaphyllum	Gynostemma	Cucurbitaceae	Cucurbitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Buxus sempervirens	Buxus	Buxaceae	Buxales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 386.6240000000002

TPSA？: 44.29

MolLogP？: 4.122200000000003

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi