N-[(1E,4R,5R,9S,10S)-11-[(10R,11R,16R,20R,21R)-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),8,13,24,26(29)-octaen-20-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxoun
AlkaPlorer ID: AK488596
Synonym: None
IUPAC Name: N-[(E,4R,5R,9S,10S)-11-[(10R,11S,13E,16R,20S,21R,24E)-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),8,13,24,26(29)-octaen-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=C/C(=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/C44H60N4O12/c1-27-13-9-10-17-40-45-33(24-57-40)43-47-34(25-59-43)44-46-32(23-58-44)42(56-8)30(4)35(51)15-11-14-31(50)21-41(53)60-39(27)22-38(55-7)28(2)18-19-36(52)29(3)37(54-6)16-12-20-48(5)26-49/h10-12,15,17,20,23-31,37-39,42,50H,9,13-14,16,18-19,21-22H2,1-8H3/b15-11+,17-10+,20-12+/t27-,28+,29+,30-,31-,37-,38+,39+,42-/m1/s1
InChIKey: PHNAXDMXCYGYGB-PVOWUBKTSA-N
Reference
New Macrolides from the Sponge <i>Chondrosia</i> <i>c</i><i>orticata</i>
PubChem CID: 163188357
LOTUS: LTS0072067
SuperNatural Ⅲ: SN0285568-06
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chondrosia corticata | Chondrosia | Chondrillidae | Chondrillida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 836.9799999999998
TPSA？: 206.76
MolLogP？: 6.963100000000008
Number of H-Donors: 1
Number of H-Acceptors: 15
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|