Dolastatin 11; Demethoxy, 11-N-Me
AlkaPlorer ID: AK297004
Synonym: Dolastatin 12
IUPAC Name: None
Structure
SMILES: CCC(=O)C1OC(=O)C(C)C(CC)N(C)C(=O)C(C)NC(=O)C(C)(C)C(=O)C(C)NC(=O)C(CC2=CC=CC=C2)N(C)C(=O)C(C(C)C)N(C)C(=O)CNC(=O)C(CC(C)C)N(C)C(=O)CNC1C
InChI: InChI=1S/C50H80N8O11/c1-17-35-30(7)48(67)69-42(38(59)18-2)31(8)51-26-39(60)55(13)36(24-28(3)4)44(63)52-27-40(61)58(16)41(29(5)6)47(66)57(15)37(25-34-22-20-19-21-23-34)45(64)53-32(9)43(62)50(11,12)49(68)54-33(10)46(65)56(35)14/h19-23,28-33,35-37,41-42,51H,17-18,24-27H2,1-16H3,(H,52,63)(H,53,64)(H,54,68)
InChIKey: YWSFFJDQEOPEFU-UHFFFAOYSA-N
Reference
CAS: 122054-77-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dolabella auricularia | Dolabella | Aplysiidae | Aplysiida | Gastropoda | Mollusca | Metazoa | Eukaryota |
| None | Calcicola | Malpighiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 969.2349999999996
TPSA？: 241.01
MolLogP？: 1.888800000000013
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|