Actinomycin X0δ
AlkaPlorer ID: AK044206
Synonym: None
IUPAC Name: 2-amino-1-N-[(3R,6S,7R,10S,16S,18S)-18-hydroxy-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]-4,6-dimethyl-3-oxo-9-N-[(3R,6S,7R,10S,16S)-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)N3C[C@@H](O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)=C(N)C1=O
InChI: InChI=1S/C62H86N12O17/c1-26(2)42-59(85)73-21-17-18-36(73)57(83)69(13)24-38(76)71(15)48(28(5)6)61(87)89-32(11)44(55(81)65-42)67-53(79)35-20-19-30(9)51-46(35)64-47-40(41(63)50(78)31(10)52(47)91-51)54(80)68-45-33(12)90-62(88)49(29(7)8)72(16)39(77)25-70(14)58(84)37-22-34(75)23-74(37)60(86)43(27(3)4)66-56(45)82/h19-20,26-29,32-34,36-37,42-45,48-49,75H,17-18,21-25,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)/t32-,33-,34+,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1
InChIKey: NHBSPDCGDJCFKE-XHQLAZNSSA-N
Reference
PubChem CID: 139588312
LOTUS: LTS0196676
SuperNatural Ⅲ: SN0245332-03
{NPAtlas: NPA018707
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomyces sp. | Actinomyces | Actinomycetaceae | Actinomycetales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1271.4369999999997
TPSA？: 380.21
MolLogP？: -0.3035599999999989
Number of H-Donors: 6
Number of H-Acceptors: 19
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|