Berninamycin D
AlkaPlorer ID: AK031845
Synonym: '', 'Berninamycin D'
IUPAC Name: (14R,17Z,27S)-17-ethylidene-12,15,22,25,28,35,38-heptahydroxy-14-[(1R)-1-hydroxyethyl]-27-(2-hydroxypropan-2-yl)-20,33-dimethyl-24,30,37,40-tetramethylidene-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodecazahexacyclo[39.2.1.18,11.118,21.131,34.02,7]heptatetraconta-1(43),2(7),3,5,8(47),10,12,15,18(46),20,22,25,28,31(45),33,35,38,41(44)-octadecaene-4-carboxamide
Structure
SMILES: C=C1N=C(O)C2=C(C)OC(=N2)C(=C)N=C(O)[C@H](C(C)(C)O)N=C(O)C(=C)N=C(O)C2=C(C)OC(=N2)/C(=C/C)N=C(O)[C@@H]([C@@H](C)O)N=C(O)C2=CSC(=N2)C2=CC=C(C(N)=O)N=C2C2=COC(=N2)C(=C)N=C1O
InChI: InChI=1S/C45H45N13O13S/c1-11-24-43-57-30(22(8)71-43)39(66)48-17(3)35(62)58-32(45(9,10)68)40(67)50-19(5)42-56-29(21(7)70-42)38(65)47-16(2)34(61)49-18(4)41-53-26(14-69-41)31-23(12-13-25(51-31)33(46)60)44-54-27(15-72-44)36(63)55-28(20(6)59)37(64)52-24/h11-15,20,28,32,59,68H,2-5H2,1,6-10H3,(H2,46,60)(H,47,65)(H,48,66)(H,49,61)(H,50,67)(H,52,64)(H,55,63)(H,58,62)/b24-11-/t20-,28-,32-/m1/s1
InChIKey: ACYFBJUVNSGWDG-NCWYSLRWSA-N
Reference
Berninamycins B,C, and D, minor metabolites from Streptomyces bernensis.
PubChem CID: 163194854
LOTUS: LTS0145736
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces bernensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1007.9999999999998
TPSA？: 415.55
MolLogP？: 5.924140000000004
Number of H-Donors: 10
Number of H-Acceptors: 19
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|