Myriastramide A
AlkaPlorer ID: AK056051
Synonym: None
IUPAC Name: (2S,8S,15S,18S,24S,30S)-15-[(2S)-butan-2-yl]-12,30-dimethyl-8-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-13,35-dioxa-6,9,16,22,28,31,36,37-octazahexacyclo[31.2.1.111,14.02,6.018,22.024,28]heptatriaconta-1(36),11,14(37),33-tetraene-7,10,17,23,29,32-hexone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](C)N=C(O)C2=COC(=N2)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(OCC=C(C)C)C=C2)N=C(O)C2=C(C)OC1=N2
InChI: InChI=1S/C45H58N8O9/c1-7-26(4)36-42-50-37(28(6)62-42)40(56)47-31(23-29-14-16-30(17-15-29)60-22-18-25(2)3)44(58)52-20-9-12-34(52)41-48-32(24-61-41)38(54)46-27(5)43(57)53-21-10-13-35(53)45(59)51-19-8-11-33(51)39(55)49-36/h14-18,24,26-27,31,33-36H,7-13,19-23H2,1-6H3,(H,46,54)(H,47,56)(H,49,55)/t26-,27-,31-,33-,34-,35-,36-/m0/s1
InChIKey: CWNDJFUYFUFZRU-OMHSDYLGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stelletta clavosa | Stelletta | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 855.0059999999999
TPSA？: 219.99
MolLogP？: 6.328020000000007
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|