N-[(1E)-4,6-dihydroxy-11-[(13Z,24Z)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1²,?.1?,?]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-10-methoxy-3,5,9-trimethylundec-1-en-1-yl]-N-methylformamide
AlkaPlorer ID: AK023098
Synonym: None
IUPAC Name: N-[(E,3R,4R,5S,6R,9S,10S)-4,6-dihydroxy-11-[(10S,11R,13E,16S,20S,21R,22S,24E)-16-hydroxy-10,22-dimethoxy-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),8,13,24,26(29)-octaen-20-yl]-10-methoxy-3,5,9-trimethylundec-1-enyl]-N-methylformamide
Structure
SMILES: CO[C@H]1C/C=C/C2=NC(=CO2)C2=NC(=CO2)C2=NC(=CO2)[C@@H](OC)[C@@H](C)C(=O)/C=C/C[C@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/N(C)C=O)[C@@H]1C
InChI: InChI=1S/C45H64N4O13/c1-26(16-17-36(53)28(3)42(55)27(2)18-19-49(6)25-50)38(57-8)21-39-30(5)37(56-7)14-11-15-40-46-33(23-59-40)44-48-34(24-61-44)45-47-32(22-60-45)43(58-9)29(4)35(52)13-10-12-31(51)20-41(54)62-39/h10-11,13,15,18-19,22-31,36-39,42-43,51,53,55H,12,14,16-17,20-21H2,1-9H3/b13-10+,15-11+,19-18+/t26-,27+,28-,29-,30+,31-,36+,37-,38-,39-,42+,43-/m0/s1
InChIKey: LDFWGSQPHWVAFZ-HEZJTTOASA-N
Reference
Isolation of a New Mycalolide from the Marine Sponge <i>Mycale izuensis</i>
PubChem CID: 643646
LOTUS: LTS0084308
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 869.022
TPSA？: 230.14999999999995
MolLogP？: 5.971700000000007
Number of H-Donors: 3
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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