Maytansinol; 3-O-(3-Hydroxy-3-methylbutanoyl), N-de-Me
AlkaPlorer ID: AK305375
Synonym: N-Demethyl-3-(3-hydroxyisovaleroyl)maytansinol, C 15003 PND 4 βHY, Antibiotic C 15003 PND 4 βHY
IUPAC Name: (11-chloro-21-hydroxy-12,20-dimethoxy-2,5,16-trimethyl-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) 3-hydroxy-3-methylbutanoate
Structure
SMILES: COC1=C(Cl)C2=CC(=C1)CC(C)=CC=CC(OC)C1(O)CC(OC(O)=N1)C(C)C1OC1(C)C(OC(=O)CC(C)(C)O)CC(O)=N2
InChI: InChI=1S/C32H43ClN2O10/c1-17-9-8-10-23(42-7)32(40)15-22(43-29(38)35-32)18(2)28-31(5,45-28)24(44-26(37)16-30(3,4)39)14-25(36)34-20-12-19(11-17)13-21(41-6)27(20)33/h8-10,12-13,18,22-24,28,39-40H,11,14-16H2,1-7H3,(H,34,36)(H,35,38)
InChIKey: ARQJOKHDAOHVFV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardia sp. | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
| Actinosynnema pretiosum | Actinosynnema | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 651.1530000000001
TPSA？: 172.15999999999997
MolLogP？: 4.6582000000000034
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|