Aibellin
AlkaPlorer ID: AK325565
Synonym: None
IUPAC Name: 4-[[4-carboxy-2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[1,5-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-2-methylpropanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxybutylidene]amino]-5-hydroxy-5-[1-(2-hydroxyethylamino)-3-phenylpropan-2-yl]iminopentanoic acid
Structure
SMILES: CC(O)=NC(C)(C)C(O)=NC(C)C(O)=NC(C)(C)C(O)=NC(C)C(O)=NC(C)(C)C(O)=NC(C)C(O)=NC(CCC(=N)O)C(O)=NC(C)(C)C(O)=NC(CC1=CC=CC=C1)C(O)=NC(C)(C)C(O)=NCC(O)=NC(C)(C)C(O)=NC(C)(C)C(=O)N1CCCC1C(O)=NC(C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=NC(CCC(=O)O)C(O)=NC(CCC(=O)O)C(O)=NC(CNCCO)CC1=CC=CC=C1)C(C)C
InChI: InChI=1S/C94H148N22O26/c1-50(2)67(76(133)113-93(21,22)84(141)114-91(17,18)82(139)104-59(39-42-66(123)124)72(129)103-58(38-41-65(121)122)71(128)101-57(48-96-43-45-117)46-55-32-27-25-28-33-55)106-75(132)62-36-31-44-116(62)85(142)94(23,24)115-83(140)92(19,20)108-64(120)49-97-77(134)86(7,8)112-74(131)61(47-56-34-29-26-30-35-56)105-81(138)90(15,16)111-73(130)60(37-40-63(95)119)102-68(125)51(3)98-79(136)88(11,12)109-70(127)53(5)100-80(137)89(13,14)110-69(126)52(4)99-78(135)87(9,10)107-54(6)118/h25-30,32-35,50-53,57-62,67,96,117H,31,36-49H2,1-24H3,(H2,95,119)(H,97,134)(H,98,136)(H,99,135)(H,100,137)(H,101,128)(H,102,125)(H,103,129)(H,104,139)(H,105,138)(H,106,132)(H,107,118)(H,108,120)(H,109,127)(H,110,126)(H,111,130)(H,112,131)(H,113,133)(H,114,141)(H,115,140)(H,121,122)(H,123,124)
InChIKey: WJBOKVHMXGSUBB-UHFFFAOYSA-N
Reference
PubChem CID: 163196005
CAS: 151036-29-2
LOTUS: LTS0122440
COCONUT: CNP0357286.2
{NPAtlas: NPA001652
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Verticimonosporium ellipticum | Verticimonosporium | None | None | None | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 2002.3459999999995
TPSA？: 790.4600000000004
MolLogP？: 12.323669999999993
Number of H-Donors: 25
Number of H-Acceptors: 25
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|