509095-20-9
AlkaPlorer ID: AK090421
Synonym: None
IUPAC Name: methyl 2-[[2-[[(5S,6S,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]amino]-2-oxoethyl]-methylamino]acetate
Structure
SMILES: COC(=O)CN(C)CC(O)=N[C@@H]1[C@H](C(C)C)CC[C@H](C)[C@@]12C=C(C)CC2
InChI: InChI=1S/C21H36N2O3/c1-14(2)17-8-7-16(4)21(10-9-15(3)11-21)20(17)22-18(24)12-23(5)13-19(25)26-6/h11,14,16-17,20H,7-10,12-13H2,1-6H3,(H,22,24)/t16-,17-,20+,21+/m0/s1
InChIKey: JWROISLFQFHVRT-ZCLUNYJNSA-N
Reference
New spirocyclic sesquiterpenes from the marine sponge Geodia exigua
PubChem CID: 11122067
LOTUS: LTS0146741
SuperNatural Ⅲ: SN0177317-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 364.5300000000002
TPSA？: 62.13
MolLogP？: 3.844900000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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