Geodiamolide G
AlkaPlorer ID: AK130017
Synonym: None
IUPAC Name: (3S,6R,9S,12S,16R,18S)-6-[(4-hydroxy-3-iodophenyl)methyl]-3,7,9,12,16,18-hexamethyl-14-methylidene-1-oxa-4,7,10-triazacyclooctadecane-2,5,8,11,15-pentone
Structure
SMILES: C=C1C[C@H](C)C(O)=N[C@@H](C)C(=O)N(C)[C@H](CC2=CC=C(O)C(I)=C2)C(O)=N[C@@H](C)C(=O)O[C@@H](C)C[C@@H](C)C1=O
InChI: InChI=1S/C28H38IN3O7/c1-14-10-16(3)25(35)30-18(5)27(37)32(7)22(13-20-8-9-23(33)21(29)12-20)26(36)31-19(6)28(38)39-17(4)11-15(2)24(14)34/h8-9,12,15-19,22,33H,1,10-11,13H2,2-7H3,(H,30,35)(H,31,36)/t15-,16+,17+,18+,19+,22-/m1/s1
InChIKey: JGALXBSQYGEYPE-BFGKGAQZSA-N
Reference
New Geodiamolides from the Sponge <i>Cymbastela</i> sp. Collected in Papua New Guinea
PubChem CID: 10258764
LOTUS: LTS0124223
SuperNatural Ⅲ: SN0164485-01
NPASS: NPC39431
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cymbastela | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 655.53
TPSA？: 149.09
MolLogP？: 4.179300000000003
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEY | IC50 | 8600.0 | ug.mL-1 | 10.1021/np990155o |
| None | NON-PROTEIN TARGET | IC50 | 7700.0 | ug.mL-1 | 10.1021/np990155o |