Cyclomarin D
AlkaPlorer ID: AK002592
Synonym: None
IUPAC Name: (3S,6S,9S,12S,15S,18S,21S)-15-[(R)-hydroxy-[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]-12-[(2R)-3-hydroxy-2-methylpropyl]-6-[(R)-methoxy(phenyl)methyl]-1,9-dimethyl-18-[(2R)-4-methylpent-3-en-2-yl]-21-(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
Structure
SMILES: C=CC(C)(C)N1C=C([C@@H](O)[C@@H]2N=C(O)[C@H]([C@H](C)C=C(C)C)N=C(O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N=C(O)[C@H]([C@H](OC)C3=CC=CC=C3)N=C(O)[C@H](C)N=C(O)[C@H](C[C@@H](C)CO)N=C2O)C2=CC=CC=C21
InChI: InChI=1S/C55H80N8O10/c1-15-55(11,12)63-28-38(37-23-19-20-24-40(37)63)46(65)44-52(70)57-39(27-33(8)29-64)49(67)56-35(10)48(66)61-45(47(73-14)36-21-17-16-18-22-36)53(71)58-42(32(6)7)54(72)62(13)41(26-31(4)5)50(68)59-43(51(69)60-44)34(9)25-30(2)3/h15-25,28,31-35,39,41-47,64-65H,1,26-27,29H2,2-14H3,(H,56,67)(H,57,70)(H,58,71)(H,59,68)(H,60,69)(H,61,66)/t33-,34-,35+,39+,41+,42+,43+,44+,45+,46-,47-/m1/s1
InChIKey: AHDUXXXZGSWYHF-IXGGKXOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Arenicola | Arenicolidae | None | Polychaeta | Annelida | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1013.291
TPSA？: 270.47
MolLogP？: 9.117500000000003
Number of H-Donors: 8
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|