Stachybocin B
AlkaPlorer ID: AK010684
Synonym: None
IUPAC Name: (2S)-6-[(3R,7R,8R,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,3S,7R,8R,8aS)-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]1CCC2C(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)CCC4C(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-CRDDFVEESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stachybotrys sp. | Stachybotrys | 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 |
|---|