Molecule

AM 6222B

AlkaPlorer ID: AK010683

Synonym: 'Stachybocin B'

IUPAC Name: (2R)-6-[(3R,4aS,7R,8S,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]-2-[(2R,3R,4aR,7S,8S,8aR)-2,3,4'-trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]hexanoic acid

Structure

SMILES: C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12CC1=C(O)C=C3C(=O)N(CCCC[C@H](C(=O)O)N4CC5=C6O[C@@]7(CC6=C(O)C=C5C4=O)[C@@H](C)CC[C@@H]4C(C)(C)[C@@H](O)[C@H](O)C[C@]47C)CC3=C1O2

InChI: InChI=1S/C52H70N2O11/c1-26-12-14-38-47(3,4)40(58)16-17-49(38,7)51(26)21-30-35(55)19-28-32(41(30)64-51)24-53(44(28)60)18-10-9-11-34(46(62)63)54-25-33-29(45(54)61)20-36(56)31-22-52(65-42(31)33)27(2)13-15-39-48(5,6)43(59)37(57)23-50(39,52)8/h19-20,26-27,34,37-40,43,55-59H,9-18,21-25H2,1-8H3,(H,62,63)/t26-,27+,34-,37-,38+,39-,40-,43+,49+,50-,51+,52+/m1/s1

InChIKey: ZRTGPZGAMCJZNA-PHAZBCBYSA-N

Reference

Stachybocins, Novel Endothelin Receptor Antagonists, Produced by Stachybotrys sp. M6222. I. Taxonomy, Fermentation, Isolation and Characterization.

PubChem CID: 162922423

LOTUS: LTS0253504

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	None	Stachybotryaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 899.1349999999998

TPSA？: 197.53

MolLogP？: 7.117900000000011

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 10

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi