ansamitocin P3
AlkaPlorer ID: AK010697
Synonym: 'Ansamitosin P 3', 'C15003P3', 'Antibiotic C 15003P3', 'MAYTANSINE DERIV', '4,24-Dioxa-9,22-diazatetracyclo19.3.1.110,14.03,5hexacosane, maytansine deriv.', 'Ansamitocin P-3', 'TAM-330', 'Maytansinol isobutyrate', "Maytansine, 2'-de(acetylmethylamino)-2'-methyl-", 'Tam 330', 'Antibiotic C15003P3', "2'-De(acetylmethylamino)-2'-methylmaytansine", 'NSC 292222', 'Ansamitocin P 3', 'ansamitocin P-3'
IUPAC Name: [(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-methylpropanoate
Structure
SMILES: COC1=C(Cl)C2=CC(=C1)C/C(C)=C\C=C/[C@@H](OC)[C@@]1(O)C[C@H](OC(O)=N1)[C@@H](C)[C@@H]1O[C@@]1(C)[C@@H](OC(=O)C(C)C)CC(=O)N2C
InChI: InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9-,18-10-/t19-,23+,24-,25+,28+,31+,32+/m1/s1
InChIKey: OPQNCARIZFLNLF-HSBZPDDFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinosynnema pretiosum | Actinosynnema | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 635.1540000000001
TPSA？: 139.65
MolLogP？: 4.528000000000004
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|