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(Q77483877)
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Asporyzin C
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
16-(4-hydroxy-4-methylpent-2-en-1-yl)-1,16,20-trimethyl-3-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosa-2(10),4,6,8-tetraen-17-ol
1 reference
based on heuristic
inferred from SMILES
mass
421.298079488
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,12S,15R,16S,17S,20S)-16-(4-hydroxy-4-methylpent-2-enyl)-1,16,20-trimethyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-17-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₈H₃₉NO₂
0 references
canonical SMILES
OC1CCC2(C)C(CCC3CC=4C=5C=CC=CC5NC4C32C)C1(C)CC=CC(O)(C)C
0 references
isomeric SMILES
C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@H]3[C@@]2(C4=C(C3)C5=CC=CC=C5N4)C)(C)C/C=C/C(C)(C)O)O
0 references
found in taxon
Aspergillus flavus
3 references
stated in
Indoloditerpenes from an algicolous isolate of Aspergillus oryzae.
stated in
Indoloditerpenes from an algicolous isolate of Aspergillus oryzae.
stated in
Indoloditerpenes from an algicolous isolate of Aspergillus oryzae.
Identifiers
InChI
InChI=1S/C28H39NO2/c1-25(2,31)14-8-15-26(3)22-12-11-18-17-20-19-9-6-7-10-21(19)29-24(20)28(18,5)27(22,4)16-13-23(26)30/h6-10,14,18,22-23,29-31H,11-13,15-17H2,1-5H3/b14-8+/t18-,22-,23-,26-,27-,28+/m0/s1
0 references
InChIKey
UCZDOMMSHDUFIK-TWQPBVKTSA-N
2 references
stated in
PubChem
PubChem CID
46945861
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
46945861
language of work or name
English
PubChem CID
46945861
2 references
stated in
PubChem
PubChem CID
46945861
language of work or name
English
matched by identifier from
InChIKey
InChIKey
UCZDOMMSHDUFIK-TWQPBVKTSA-N
ChEBI ID
206997
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H39NO2/c1-25(2,31)14-8-15-26(3)22-12-11-18-17-20-19-9-6-7-10-21(19)29-24(20)28(18,5)27(22,4)16-13-23(26)30/h6-10,14,18,22-23,29-31H,11-13,15-17H2,1-5H3/b14-8+/t18-,22-,23-,26-,27-,28+/m0/s1
UniChem compound ID
971568
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA009110
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UCZDOMMSHDUFIK-TWQPBVKTSA-N
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