Actinomycin HKI 0155
AlkaPlorer ID: AK085687
Synonym: ''
IUPAC Name: 2-amino-1-N-[(3R,6R,7S,10R,16S,17S,19R)-17-hydroxy-7-(hydroxymethyl)-10,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-9-N-[(3R,6R,7S,10S,16R)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
Structure
SMILES: CC1=C2OC3=C(C)C=CC(C(O)=N[C@H]4C(O)=N[C@H](C(C)C)C(=O)N5CCC[C@@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)=C3N=C2C(C(O)=N[C@H]2C(O)=N[C@H](C(C)C)C(=O)N3[C@H](C)C[C@H](O)[C@H]3C(=O)N(C)CC(=O)N(C)[C@H](C)C(=O)O[C@@H]2CO)=C(N)C1=O
InChI: InChI=1S/C61H84N12O18/c1-25(2)41-57(84)72-20-16-17-34(72)56(83)68(12)23-38(77)71(15)47(27(5)6)61(88)89-32(11)43(54(81)64-41)66-52(79)33-19-18-28(7)50-44(33)63-46-39(40(62)49(78)30(9)51(46)91-50)53(80)67-45-36(24-74)90-60(87)31(10)70(14)37(76)22-69(13)59(86)48-35(75)21-29(8)73(48)58(85)42(26(3)4)65-55(45)82/h18-19,25-27,29,31-32,34-36,41-43,45,47-48,74-75H,16-17,20-24,62H2,1-15H3,(H,64,81)(H,65,82)(H,66,79)(H,67,80)/t29-,31-,32+,34-,35+,36-,41-,42-,43-,45-,47+,48+/m1/s1
InChIKey: TZPNOFMOLDGMSS-GIXBYJHXSA-N
Reference
A New Actinomycin-type Chromopeptide from Streptomyces sp. HKI-0155.
PubChem CID: 163027880
LOTUS: LTS0083669
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1273.409
TPSA？: 414.4
MolLogP？: 1.2514400000000077
Number of H-Donors: 7
Number of H-Acceptors: 20
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|