Anchinopeptolide A
AlkaPlorer ID: AK013721
Synonym: ''
IUPAC Name: (2S,3R,4S)-3-[2-(diaminomethylideneamino)ethyl]-4-[3-(diaminomethylideneamino)propyl]-2,4-dihydroxy-N-[(2S)-1-[[(E)-2-(4-hydroxyphenyl)ethenyl]amino]-1-oxopropan-2-yl]-1-[(2S)-1-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Structure
SMILES: C[C@H](N=C(O)[C@@]1(O)[C@H](CCNC(=N)N)[C@@](O)(CCCNC(=N)N)C(=O)N1[C@@H](C)C(O)=N/C=C\C1=CC=C(O)C=C1)C(O)=N/C=C/C1=CC=C(O)C=C1
InChI: InChI=1S/C34H46N10O8/c1-20(27(47)39-17-12-22-4-8-24(45)9-5-22)43-29(49)34(52)26(14-19-42-32(37)38)33(51,15-3-16-41-31(35)36)30(50)44(34)21(2)28(48)40-18-13-23-6-10-25(46)11-7-23/h4-13,17-18,20-21,26,45-46,51-52H,3,14-16,19H2,1-2H3,(H,39,47)(H,40,48)(H,43,49)(H4,35,36,41)(H4,37,38,42)/b17-12+,18-13-/t20-,21-,26+,33-,34-/m0/s1
InChIKey: HCBLDZZFUFWBIT-CTIRTUGVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phorbas tenacior | Phorbas | Hymedesmiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 722.8040000000003
TPSA？: 322.80000000000007
MolLogP？: 1.4004400000000048
Number of H-Donors: 13
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|