(Q105350556)

English

(2R)-4-[(1R,2S,6S,8aS)-1,3,6-trimethyl-2-[(1E,3E)-penta-1,3-dien-1-yl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-5-hydroxy-2-(hydroxymethyl)-1-methyl-2H-pyrrol-3-one

group of stereoisomers with the chemical formula C₂₅H₃₅NO₄

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instance of

group of stereoisomers

0 references

1 reference

413.2566086 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₅NO₄

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canonical SMILES

O=C1C(=C(O)N(C)C1CO)C(=O)C2(C)C(C=CC=CC)C(=CC3CC(C)CCC32)C

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isomeric SMILES

C/C=C/C=C/[C@H]1C(C)=CC2C[C@@H](C)CC[C@@H]2[C@@]1(C)C(=O)C1=C(O)N(C)[C@H](CO)C1=O

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found in taxon

Phoma

4 references

stated in

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

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

stated in

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

Identifiers

InChI

InChI=1S/C25H35NO4/c1-6-7-8-9-18-16(3)13-17-12-15(2)10-11-19(17)25(18,4)23(29)21-22(28)20(14-27)26(5)24(21)30/h6-9,13,15,17-20,27,30H,10-12,14H2,1-5H3/b7-6+,9-8+/t15-,17?,18-,19-,20+,25-/m0/s1

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InChIKey

YMIQGKRGQLZZBA-DRGBUEIOSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105350556)

(2R)-4-[(1R,2S,6S,8aS)-1,3,6-trimethyl-2-[(1E,3E)-penta-1,3-dien-1-yl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-5-hydroxy-2-(hydroxymethyl)-1-methyl-2H-pyrrol-3-one

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Identifiers

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