Psymberin
AlkaPlorer ID: AK003106
Synonym: None
IUPAC Name: (2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-[(3R)-6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl]-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide
Structure
SMILES: C=C(C)C[C@H](OC)[C@H](O)C(O)=N[C@@H](OC)[C@@H]1C[C@@H](O)C(C)(C)[C@@H](C[C@H](O)[C@@H](C)[C@H]2CC3=C(C)C(O)=CC(O)=C3C(=O)O2)O1
InChI: InChI=1S/C31H47NO11/c1-14(2)9-22(40-7)27(37)28(38)32-29(41-8)23-13-24(36)31(5,6)25(42-23)12-19(34)16(4)21-10-17-15(3)18(33)11-20(35)26(17)30(39)43-21/h11,16,19,21-25,27,29,33-37H,1,9-10,12-13H2,2-8H3,(H,32,38)/t16-,19+,21-,22+,23+,24-,25-,27+,29+/m1/s1
InChIKey: BNNIEBYABSNREN-CYRUSRGFSA-N
Reference
Revisiting the Sponge Sources, Stereostructure, and Biological Activity of Cyclocinamide A
PubChem CID: 11692946
LOTUS: LTS0268912
SuperNatural Ⅲ: SN0030383-05
{NPAtlas: NPA024787
Source
Properties Information
Molecule Weight: 609.7130000000003
TPSA？: 187.73
MolLogP？: 2.6905200000000007
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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