1-formamido-10(1-2)-abeopupukeanane
AlkaPlorer ID: AK118831
Synonym: '1-Formamido-10(1‚Üí2)-abeopupukeanane'
IUPAC Name: N-[(1S,2R,5S,6S,8R,9S)-1,5-dimethyl-9-propan-2-yl-5-tricyclo[4.4.0.02,8]decanyl]formamide
Structure
SMILES: CC(C)[C@@H]1C[C@@]2(C)[C@@H]3CC[C@](C)(N=CO)[C@H]2C[C@@H]31
InChI: InChI=1S/C16H27NO/c1-10(2)12-8-15(3)13-5-6-16(4,17-9-18)14(15)7-11(12)13/h9-14H,5-8H2,1-4H3,(H,17,18)/t11-,12+,13-,14+,15+,16+/m1/s1
InChIKey: PDLPLWDSKGNXJE-IBPCWRJOSA-N
Reference
Bridged Tricyclic Sesquiterpenes from the Tubercle Nudibranch <i>Phyllidia coelestis</i> Bergh
PubChem CID: 72945679
LOTUS: LTS0154461
NPASS: NPC477739
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？: 32.59
MolLogP？: 4.059700000000003
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 130.0 | nM | 10.1021/np4007074 |
| Homo sapiens | HT-29 | IC50 | 6800.0 | nM | 10.1021/np4007074 |
| Homo sapiens | KB | IC50 | 2400.0 | nM | 10.1021/np4007074 |
| Homo sapiens | MCF7 | IC50 | 650.0 | nM | 10.1021/np4007074 |
| None | ADMET | Inhibition | 65.0 | % | 10.1021/np4007074 |