Molecule

Cyclomicrophylline A

AlkaPlorer ID: AK040765

Synonym: 'N-Methylcyclobaleabuxine'

IUPAC Name: (1S,3R,6S,7S,8R,11S,12S,14R,15S,16R)-6-(dimethylamino)-15-[(1S)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-en-14-ol

Structure

SMILES: C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4[C@](C)(CO)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C

InChI: InChI=1S/C28H48N2O2/c1-18(29(5)6)23-19(32)15-26(4)21-10-9-20-24(2,17-31)22(30(7)8)11-12-27(20)16-28(21,27)14-13-25(23,26)3/h9-10,18-23,31-32H,11-17H2,1-8H3/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27+,28-/m0/s1

InChIKey: NHTXVOKRJSZBJV-RFYJMIDCSA-N

Reference

835. Buxus alkaloids. Part IV. Isolation and structure elucidation of eight new alkaloids, cyclomicrophylline-A,-B, and -C, dihydrocyclomicrophylline-A and -F, cyclomicrophyllidine-A, dihydrocyclo-microphyllidine-A, and cyclomicrobuxine, from B. microphylla sieb. et zucc. var. suffruticosa makino

PubChem CID: 163019068

LOTUS: LTS0141943

SuperNatural Ⅲ: SN0245922-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Buxus microphylla	Buxus	Buxaceae	Buxales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 444.7040000000004

TPSA？: 46.940000000000005

MolLogP？: 4.025000000000003

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi