Molecule

Sollasin C

AlkaPlorer ID: AK053825

Synonym: None

IUPAC Name: (E)-3-methyl-N-[(3R)-2-oxoazepan-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]1CCCCN=C1O

InChI: InChI=1S/C21H34N2O2/c1-15(11-12-21(4)16(2)8-7-9-17(21)3)14-19(24)23-18-10-5-6-13-22-20(18)25/h8,14,17-18H,5-7,9-13H2,1-4H3,(H,22,25)(H,23,24)/b15-14+/t17-,18-,21-/m1/s1

InChIKey: ZVDZALYKOIJILQ-HDZMUBKSSA-N

Reference

Sesquiterpene-Derived Metabolites from the Deep Water Marine Sponge Poecillastra sollasi

PubChem CID: 44575910

LOTUS: LTS0147709

SuperNatural Ⅲ: SN0481111-03

NPASS: NPC39966

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: 346.51500000000016

TPSA？: 65.18

MolLogP？: 5.560900000000005

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	31.2	ug.mL-1	10.1021/np50094a008
Cryptococcus neoformans	Cryptococcus neoformans	MIC	15.6	ug.mL-1	10.1021/np50094a008
Homo sapiens	A549	IC50	11.0	ug.mL-1	10.1021/np50094a008
Mus musculus	P388	IC50	8.4	ug.mL-1	10.1021/np50094a008
None	Unchecked	IC50	63000.0	nM	10.1021/np50094a008