180610-93-9
AlkaPlorer ID: AK067416
Synonym: 'Nordolastatin G', '(-)-Nordolastatin G'
IUPAC Name: (3S,6S,12S,15S,18S,26S,27R,30R,31R,35S,38S)-18-[(2S)-butan-2-yl]-31-hydroxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-3,15,35-tri(propan-2-yl)-28,36-dioxa-1,4,10,13,16,19-hexazatricyclo[36.3.0.06,10]hentetracont-23-ene-2,5,11,14,17,20,22,29,37-nonone
Structure
SMILES: CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](COC)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)C)CCC[C@@H](O)[C@@H](C)C(=O)O[C@H](C)[C@@H](C)C/C=C(\C)C(=O)CC(=O)N1C
InChI: InChI=1S/C56H94N6O13/c1-18-35(8)49-53(69)60(16)47(33(4)5)52(68)57(13)42(31-73-17)51(67)61-28-20-22-40(61)50(66)59(15)48(34(6)7)54(70)62-29-21-23-41(62)56(72)75-45(32(2)3)25-19-24-43(63)38(11)55(71)74-39(12)36(9)26-27-37(10)44(64)30-46(65)58(49)14/h27,32-36,38-43,45,47-49,63H,18-26,28-31H2,1-17H3/b37-27+/t35-,36-,38+,39+,40-,41-,42-,43+,45-,47-,48-,49-/m0/s1
InChIKey: SWGIYHCDCQEEQO-DIMIYDSXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dolabella auricularia | Dolabella | Aplysiidae | Aplysiida | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1059.3969999999997
TPSA？: 220.99
MolLogP？: 4.893000000000015
Number of H-Donors: 1
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|