Molecule

Sollasin B

AlkaPlorer ID: AK004256

Synonym: None

IUPAC Name: (E)-3-methyl-N-[(3R)-2-oxopiperidin-3-yl]-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enamide

Structure

SMILES: CC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/C(O)=N[C@@H]1CCCN=C1O

InChI: InChI=1S/C20H32N2O2/c1-14(10-11-20(4)15(2)7-5-8-16(20)3)13-18(23)22-17-9-6-12-21-19(17)24/h7,13,16-17H,5-6,8-12H2,1-4H3,(H,21,24)(H,22,23)/b14-13+/t16-,17-,20-/m1/s1

InChIKey: AETOKBXKVBFSTR-VBRACAIISA-N

Reference

PubChem CID: 44575909

SuperNatural Ⅲ: SN0003704-04

NPASS: NPC224072

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Crinum oliganthum	Crinum	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Eucalyptus aggregata	Eucalyptus	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Clerodendrum phlomidis	Clerodendrum	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Holothuria scabra	Holothuria	Holothuriidae	Aspidochirotida	Holothuroidea	Echinodermata	Metazoa	Eukaryota
Clerodendrum splendens	Clerodendrum	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gnetum parvifolium	Gnetum	Gnetaceae	Gnetales	Gnetopsida	Streptophyta	Viridiplantae	Eukaryota
Felicia filifolia	Felicia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Syzygium jambos	Syzygium	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 332.4880000000001

TPSA？: 65.18

MolLogP？: 5.170800000000003

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Candida albicans	Candida albicans	MIC	125.0	ug.mL-1	10.1021/np50094a008
Cryptococcus neoformans	Cryptococcus neoformans	MIC	31.2	ug.mL-1	10.1021/np50094a008
Homo sapiens	A549	IC50	17.0	ug.mL-1	10.1021/np50094a008
Mus musculus	P388	IC50	6.0	ug.mL-1	10.1021/np50094a008