Halishigamide A
AlkaPlorer ID: AK040758
Synonym: ''
IUPAC Name: N-[(E,4R,5R,9S,10S)-11-[(10S,11R,14S,16S,20S,21R,24Z)-14-amino-16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-enyl]-N-methylformamide
Structure
SMILES: CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](N)CC(=O)[C@H](C)[C@H](OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)/C=C\CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC
InChI: InChI=1S/C44H63N5O12/c1-26-12-9-10-14-40-46-33(23-58-40)43-48-34(24-60-43)44-47-32(22-59-44)42(57-8)29(4)36(53)19-30(45)18-31(51)20-41(54)61-39(26)21-38(56-7)27(2)15-16-35(52)28(3)37(55-6)13-11-17-49(5)25-50/h10-11,14,17,22-31,37-39,42,51H,9,12-13,15-16,18-21,45H2,1-8H3/b14-10-,17-11+/t26-,27+,28+,29+,30+,31+,37-,38+,39+,42+/m1/s1
InChIKey: AQYANMZYGIFVDZ-UMNKJBLMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 854.0109999999997
TPSA？: 232.78
MolLogP？: 6.124300000000007
Number of H-Donors: 2
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|