(Q105224607)

English

(S,E)-3-(((1R,2S,4aR,6S,8aS)-1,6-dimethyl-2-((E)-prop-1-enyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)(hydroxy)methylene)-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[(1,6-dimethyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

1 reference

based on heuristic

inferred from SMILES

mass

373.225308472 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3Z,5S)-3-[{(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(1E)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}(hydroxy)methylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3E,5S)-3-[[(1R,2R,4aR,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₁NO₄

0 references

canonical SMILES

O=C1C(C(=O)C(N1C)CO)=C(O)C2(C)C(C=CC)C=CC3CC(C)CCC32

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isomeric SMILES

C/C=C/[C@H]1C=C[C@@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)/C(O)=C1/C(=O)[C@H](CO)N(C)C1=O

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found in taxon

Ferula equisetacea

1 reference

stated in

An aromatic aldehyde fromFerula equisetacea

Fusarium heterosporum

2 references

stated in

Equisetin and a novel opposite stereochemical homolog phomasetin, two fungal metabolites as inhibitors of HIV-1 integrase

stated in

Isolation and characterization of novel human immunodeficiency virus integrase inhibitors from fungal metabolites

Fusarium lolii

2 references

stated in

Equisetin and a novel opposite stereochemical homolog phomasetin, two fungal metabolites as inhibitors of HIV-1 integrase

stated in

Isolation and characterization of novel human immunodeficiency virus integrase inhibitors from fungal metabolites

Identifiers

InChI

InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18+/t13-,14+,15-,16-,17-,22-/m0/s1

0 references

InChIKey

QNQBPPQLRODXET-YESGSDLUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QNQBPPQLRODXET-YESGSDLUSA-N

1 reference

(Q105224607)

(S,E)-3-(((1R,2S,4aR,6S,8aS)-1,6-dimethyl-2-((E)-prop-1-enyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)(hydroxy)methylene)-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

Statements

Identifiers

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