Ansacarbamitocin A
AlkaPlorer ID: AK064411
Synonym: None
IUPAC Name: [(2S,3S,4S,5S,6S)-3-carbamoyloxy-6-[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-6-(methylcarbamoyloxy)-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-9-yl]-5-hydroxy-4-methoxyoxan-2-yl]methyl acetate
Structure
SMILES: CN=C(O)O[C@H]1CC(=O)N([C@H]2O[C@@H](COC(C)=O)[C@H](OC(=N)O)[C@@H](OC)[C@@H]2O)C2=CC(=CC(O)=C2Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(O)=N2)[C@@H](C)[C@@H]2O[C@@]12C
InChI: InChI=1S/C38H51ClN4O16/c1-17-9-8-10-25(52-6)38(51)15-23(56-36(50)42-38)18(2)32-37(4,59-32)26(57-35(49)41-5)14-27(46)43(21-12-20(11-17)13-22(45)28(21)39)33-29(47)31(53-7)30(58-34(40)48)24(55-33)16-54-19(3)44/h8-10,12-13,18,23-26,29-33,45,47,51H,11,14-16H2,1-7H3,(H2,40,48)(H,41,49)(H,42,50)/b10-8+,17-9+/t18-,23+,24+,25-,26+,29+,30+,31+,32+,33+,37+,38+/m1/s1
InChIKey: ITACDTCLIHYDGL-OBMQOXPTSA-N
Reference
The Ansacarbamitocins: Polar Ansamitocin Derivatives
PubChem CID: 101443096
LOTUS: LTS0005579
SuperNatural Ⅲ: SN0154550-03
{NPAtlas: NPA006198
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amycolatopsis sp. | Amycolatopsis | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 855.2909999999999
TPSA？: 284.47
MolLogP？: 2.498270000000004
Number of H-Donors: 7
Number of H-Acceptors: 16
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|