2-formamidopupukeanane
AlkaPlorer ID: AK118838
Synonym: None
IUPAC Name: N-[(1S,2S,3S,5S,6R,7R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide
Structure
SMILES: CC(C)[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@](C)(C[C@@H]31)[C@@H]2NC=O
InChI: InChI=1S/C16H27NO/c1-10(2)11-8-16(4)13-5-6-15(3,7-12(11)13)14(16)17-9-18/h9-14H,5-8H2,1-4H3,(H,17,18)/t11-,12+,13+,14-,15-,16-/m0/s1
InChIKey: ZMNALZIXBKIMDE-XFHWEBQZSA-N
Reference
Bridged Tricyclic Sesquiterpenes from the Tubercle Nudibranch <i>Phyllidia coelestis</i> Bergh
PubChem CID: 76313606
LOTUS: LTS0007163
NPASS: NPC477740
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phyllidia coelestis | Phyllidia | Phyllidiidae | Nudibranchia | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 249.398
TPSA？: 29.1
MolLogP？: 3.219400000000001
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 70.0 | nM | 10.1021/np4007074 |
| Homo sapiens | HT-29 | Inhibition | 35.0 | % | 10.1021/np4007074 |
| Homo sapiens | KB | IC50 | 1200.0 | nM | 10.1021/np4007074 |
| Homo sapiens | MCF7 | IC50 | 8200.0 | nM | 10.1021/np4007074 |
| None | ADMET | Inhibition | 25.0 | % | 10.1021/np4007074 |