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> Main
CHEBI:66809 - ochrocarpinone B
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ChEBI Name
ochrocarpinone B
ChEBI ID
CHEBI:66809
Definition
A β-diketone isolated from
Ochrocarpos punctatus
and has been shown to exhibit antineoplastic activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C33H42O5
Net Charge
0
Average Mass
518.68360
Monoisotopic Mass
518.30322
InChI
InChI=1S/C33H42O5/c1-
20(2)
14-
15-
23-
19-
32(17-
16-
21(3)
4)
27(35)
24-
18-
25(31(7,8)
37)
38-
28(24)
33(29(32)
36,30(23,5)
6)
26(34)
22-
12-
10-
9-
11-
13-
22/h9-
14,16,23,25,37H,15,17-
19H2,1-
8H3
InChIKey
ZWTGJCOSOVVWJL-UHFFFAOYSA-N
SMILES
CC(C)=CCC1CC2(CC=C(C)C)C(=O)C3=C(OC(C3)C(C)(C)O)C(C(=O)c3ccccc3)(C2=O)C1(C)C
Metabolite of Species
Details
Ochrocarpos punctatus
(IPNI:428950-1)
Found in bark
(BTO:0001301)
. See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ochrocarpinone B (
CHEBI:66809
)
has role
antineoplastic agent (
CHEBI:35610
)
ochrocarpinone B (
CHEBI:66809
)
has role
metabolite (
CHEBI:25212
)
ochrocarpinone B (
CHEBI:66809
)
is a
β-diketone (
CHEBI:67265
)
ochrocarpinone B (
CHEBI:66809
)
is a
aromatic ketone (
CHEBI:76224
)
ochrocarpinone B (
CHEBI:66809
)
is a
bridged compound (
CHEBI:35990
)
ochrocarpinone B (
CHEBI:66809
)
is a
cyclic ether (
CHEBI:37407
)
ochrocarpinone B (
CHEBI:66809
)
is a
cyclic ketone (
CHEBI:3992
)
ochrocarpinone B (
CHEBI:66809
)
is a
enone (
CHEBI:51689
)
ochrocarpinone B (
CHEBI:66809
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
ochrocarpinone B (
CHEBI:66809
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
9-
benzoyl-
2-
(2-
hydroxypropan-
2-
yl)-
8,8-
dimethyl-
5,7-
bis(3-
methylbut-
2-
en-
1-
yl)-
3,5,6,7,8,9-
hexahydro-
5,9-
methanocycloocta[
b
]furan-
4,10(2
H
)-
dione
Registry Number
Type
Source
9308016
Reaxys Registry Number
Reaxys
Citation
Type
Source
12141854
PubMed citation
Europe PMC
Last Modified
07 November 2013