clionamine A
AlkaPlorer ID: AK016511
Synonym: None
IUPAC Name: (1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-amino-7-[(E,3R)-3,4-dimethylpent-1-enyl]-7-hydroxy-9,13-dimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-one
Structure
SMILES: CC(C)[C@@H](C)/C=C/[C@@]1(O)C(=O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21
InChI: InChI=1S/C28H45NO3/c1-16(2)17(3)8-13-28(31)24-23(32-25(28)30)15-22-20-7-6-18-14-19(29)9-11-26(18,4)21(20)10-12-27(22,24)5/h8,13,16-24,31H,6-7,9-12,14-15,29H2,1-5H3/b13-8+/t17-,18-,19-,20+,21-,22-,23-,24-,26-,27-,28-/m0/s1
InChIKey: HJJPBCWQWGYRBJ-INYCBRHOSA-N
Reference
Autophagy-Modulating Aminosteroids Isolated from the Sponge <i>Cliona celata</i>
PubChem CID: 162878676
LOTUS: LTS0009282
SuperNatural Ⅲ: SN0127271-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cliona celata | Cliona | Clionaidae | Clionaida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 443.6720000000003
TPSA？: 72.55
MolLogP？: 5.087300000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|