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(Q75070229)
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Phomasetin
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(hydroxymethyl)-3-[hydroxy-(1,3,6-trimethyl-2-penta-1,3-dienyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methylidene]-1-methylpyrrolidine-2,4-dione
1 reference
based on heuristic
inferred from SMILES
mass
413.2566086
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₅NO₄
0 references
canonical SMILES
O=C1C(C(=O)C(N1C)CO)=C(O)C2(C)C(C=CC=CC)C(=CC3CC(C)CCC32)C
0 references
isomeric SMILES
C/C=C/C=C/[C@H]1C(=C[C@H]2C[C@H](CC[C@@H]2[C@@]1(C)/C(=C\3/C(=O)[C@H](N(C3=O)C)CO)/O)C)C
0 references
found in taxon
Phoma
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/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/h6-9,13,15,17-20,27,29H,10-12,14H2,1-5H3/b7-6+,9-8+,23-21+/t15-,17+,18-,19-,20+,25-/m0/s1
0 references
InChIKey
GQYNYOOJEMDNNZ-KXBMYEHISA-N
2 references
stated in
PubChem
PubChem CID
54711946
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
54711946
language of work or name
English
PubChem CID
54711946
2 references
stated in
PubChem
PubChem CID
54711946
language of work or name
English
matched by identifier from
InChIKey
InChIKey
GQYNYOOJEMDNNZ-KXBMYEHISA-N
ChEBI ID
200307
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
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/h6-9,13,15,17-20,27,29H,10-12,14H2,1-5H3/b7-6+,9-8+,23-21+/t15-,17+,18-,19-,20+,25-/m0/s1
UniChem compound ID
32030293
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA003199
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GQYNYOOJEMDNNZ-KXBMYEHISA-N
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