(Q77369988)

English

11-Epiterpestacin

bioactive natural product

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Statements

instance of

type of chemical entity

0 references

subclass of

5,17-Dihydroxy-18-(1-hydroxypropan-2-yl)-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one

1 reference

1 reference

402.277009696 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3E,5R,8E,12E,15S)-5,17-dihydroxy-18-[(2S)-1-hydroxypropan-2-yl]-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3E,5R,8Z,12E,15R)-5,17-dihydroxy-18-[(2S)-1-hydroxypropan-2-yl]-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₈O₄

0 references

canonical SMILES

O=C1C(O)=C(C(C)CO)C2CC=C(C)C(O)CCC(=CCCC(=CCC12C)C)C

0 references

isomeric SMILES

C/C/1=C/CC/C(=C\C[C@]2([C@H](C/C=C(\[C@@H](CC1)O)/C)C(=C(C2=O)O)[C@H](C)CO)C)/C

0 references

found in taxon

Bipolaris sorokiniana

1 reference

stated in

Phytotoxic sesterterpene, 11-epiterpestacin, from Bipolaris sorokiniana NSDR-011.

Identifiers

InChI

InChI=1S/C25H38O4/c1-16-7-6-8-17(2)13-14-25(5)20(11-10-18(3)21(27)12-9-16)22(19(4)15-26)23(28)24(25)29/h7,10,13,19-21,26-28H,6,8-9,11-12,14-15H2,1-5H3/b16-7-,17-13-,18-10-/t19-,20-,21-,25+/m1/s1

0 references

InChIKey

UTGBBPSEQPITLF-GFHAHZORSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

16058280

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

UTGBBPSEQPITLF-GFHAHZORSA-N

ChEBI ID

202221

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C25H38O4/c1-16-7-6-8-17(2)13-14-25(5)20(11-10-18(3)21(27)12-9-16)22(19(4)15-26)23(28)24(25)29/h7,10,13,19-21,26-28H,6,8-9,11-12,14-15H2,1-5H3/b16-7-,17-13-,18-10-/t19-,20-,21-,25+/m1/s1

1 reference

Natural Product Atlas ID

NPA004984

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UTGBBPSEQPITLF-GFHAHZORSA-N

(Q77369988)

11-Epiterpestacin

Statements

Identifiers

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