Stellatolides; Stellatolide B
AlkaPlorer ID: AK314304
Synonym: None
IUPAC Name: 4-[[3-amino-2-[[2-[[4-amino-3-hydroxy-2-[[(Z)-3-hydroxy-6-methylnon-4-enoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]-N'-[9-(3-amino-3-oxopropyl)-6-[(4-hydroxyphenyl)-methoxymethyl]-18-(methoxymethyl)-3,4,10,22-tetramethyl-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-2,3-dimethylpentanediamide
Structure
SMILES: CCCC(C)/C=C\C(O)CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1C(=O)NC(COC)C(=O)NCC(=O)NC(CC(C)C)C(=O)N(C)C(CCC(N)=O)C(=O)NC(C(OC)C2=CC=C(O)C=C2)C(=O)N(C)C(C)C(=O)OC1C)C(C)C(C)C(N)=O)C(C)N)C(C)O)C(O)C(N)=O
InChI: InChI=1S/C65H105N15O22/c1-15-16-30(4)17-20-39(83)26-44(85)73-50(52(87)55(69)89)62(96)76-48(35(9)81)60(94)75-47(33(7)66)59(93)74-46(31(5)32(6)54(68)88)58(92)77-49-36(10)102-65(99)34(8)79(11)64(98)51(53(101-14)37-18-21-38(82)22-19-37)78-57(91)42(23-24-43(67)84)80(12)63(97)40(25-29(2)3)71-45(86)27-70-56(90)41(28-100-13)72-61(49)95/h17-22,29-36,39-42,46-53,81-83,87H,15-16,23-28,66H2,1-14H3,(H2,67,84)(H2,68,88)(H2,69,89)(H,70,90)(H,71,86)(H,72,95)(H,73,85)(H,74,93)(H,75,94)(H,76,96)(H,77,92)(H,78,91)/b20-17-
InChIKey: KCSLZWWLHGIUBF-JZJYNLBNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ecionemia acervus | Ecionemia | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1448.6379999999992
TPSA？: 583.4899999999999
MolLogP？: -6.2734000000000085
Number of H-Donors: 17
Number of H-Acceptors: 23
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|