Berninamycin C
AlkaPlorer ID: AK031881
Synonym: '', 'Berninamycin C'
IUPAC Name: 2-[[(14R,17Z,27S)-17-ethylidene-12,15,22,25,28,35,38-heptahydroxy-14-[(1S)-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-carbonyl]amino]prop-2-enimidic acid
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(=O)NC(=C)C(=N)O)N=C2C2=COC(=N2)C(=C)N=C1O
InChI: InChI=1S/C48H48N14O14S/c1-12-26-46-61-32(24(9)76-46)42(71)52-19(4)37(66)62-34(48(10,11)73)43(72)54-21(6)45-60-31(23(8)75-45)41(70)51-18(3)36(65)53-20(5)44-57-28(15-74-44)33-25(13-14-27(55-33)38(67)50-17(2)35(49)64)47-58-29(16-77-47)39(68)59-30(22(7)63)40(69)56-26/h12-16,22,30,34,63,73H,2-6H2,1,7-11H3,(H2,49,64)(H,50,67)(H,51,70)(H,52,71)(H,53,65)(H,54,72)(H,56,69)(H,59,68)(H,62,66)/b26-12-/t22-,30+,34+/m0/s1
InChIKey: OCCSIEQRVFOZHA-OHEZJBAUSA-N
Reference
Berninamycins B,C, and D, minor metabolites from Streptomyces bernensis.
PubChem CID: 163046677
LOTUS: LTS0103570
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces bernensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1077.063
TPSA？: 445.64
MolLogP？: 6.604010000000005
Number of H-Donors: 12
Number of H-Acceptors: 20
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|