Geodiamolide A
AlkaPlorer ID: AK004267
Synonym: None
IUPAC Name: (3S,6R,9S,12S,14E,16R,18S)-6-[(4-hydroxy-3-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
Structure
SMILES: C/C1=C\[C@H](C)C[C@H](C)OC(=O)[C@H](C)N=C(O)[C@@H](CC2=CC=C(O)C(I)=C2)N(C)C(=O)[C@H](C)N=C(O)[C@@H](C)C1
InChI: InChI=1S/C28H40IN3O6/c1-15-10-16(2)12-18(4)38-28(37)20(6)31-26(35)23(14-21-8-9-24(33)22(29)13-21)32(7)27(36)19(5)30-25(34)17(3)11-15/h8-10,13,16-20,23,33H,11-12,14H2,1-7H3,(H,30,34)(H,31,35)/b15-10+/t16-,17-,18-,19-,20-,23+/m0/s1
InChIKey: QMYRWKWZINECMT-SVSKSJJFSA-N
Reference
New Geodiamolides from the Sponge <i>Cymbastela</i> sp. Collected in Papua New Guinea
PubChem CID: 11814284
LOTUS: LTS0123643
SuperNatural Ⅲ: SN0309782-08
NPASS: NPC266741
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cymbastela | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 641.547
TPSA？: 132.02
MolLogP？: 5.000300000000004
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEY | IC50 | 43.0 | ug.mL-1 | 10.1021/np990155o |
| None | NON-PROTEIN TARGET | IC50 | 16.0 | ug.mL-1 | 10.1021/np990155o |