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> Main
CHEBI:66704 - 7-methoxydeoxymorellin
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ChEBI Name
7-methoxydeoxymorellin
ChEBI ID
CHEBI:66704
Definition
An organic heterohexacyclic compound that is deoxymorellin substituted by a methoxy group at position 7. Isolated from
Garcinia hanburyi
, it exhibits cytotoxic activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C34H40O7
Net Charge
0
Average Mass
560.67720
Monoisotopic Mass
560.27740
InChI
InChI=1S/C34H40O7/c1-
18(2)
10-
11-
21-
27-
20(13-
14-
30(5,6)
39-
27)
25(35)
24-
26(36)
22-
16-
32(38-
9)
17-
23-
31(7,8)
41-
33(29(32)
37,15-
12-
19(3)
4)
34(22,23)
40-
28(21)
24/h10,12-
14,16,23,35H,11,15,17H2,1-
9H3/t23-
,32-
,33-
,34+/m0/s1
InChIKey
USLTUZOWPRBQKK-CKBKNJJASA-N
SMILES
[H][C@@]12C[C@@]3(OC)C=C4C(=O)c5c(O)c6C=CC(C)(C)Oc6c(CC=C(C)C)c5O[C@@]14[C@@](CC=C(C)C)(OC2(C)C)C3=O
Metabolite of Species
Details
Garcinia hanburyi
(NCBI:txid231906)
Found in fruit
(BTO:0000486)
. See:
PubMed
Garcinia hanburyi
(NCBI:txid231906)
Found in latex
(BTO:0000710)
. Previous component: resin; 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
7-methoxydeoxymorellin (
CHEBI:66704
)
has functional parent
morellin (
CHEBI:6995
)
7-methoxydeoxymorellin (
CHEBI:66704
)
has role
antineoplastic agent (
CHEBI:35610
)
7-methoxydeoxymorellin (
CHEBI:66704
)
has role
metabolite (
CHEBI:25212
)
7-methoxydeoxymorellin (
CHEBI:66704
)
is a
cyclic ether (
CHEBI:37407
)
7-methoxydeoxymorellin (
CHEBI:66704
)
is a
cyclic ketone (
CHEBI:3992
)
7-methoxydeoxymorellin (
CHEBI:66704
)
is a
organic heterohexacyclic compound (
CHEBI:51914
)
7-methoxydeoxymorellin (
CHEBI:66704
)
is a
phenols (
CHEBI:33853
)
7-methoxydeoxymorellin (
CHEBI:66704
)
is a
polycyclic cage (
CHEBI:33640
)
IUPAC Name
(1
R
,3a
S
,5
R
,14a
S
)-
8-
hydroxy-
5-
methoxy-
3,3,11,11-
tetramethyl-
1,13-
bis(3-
methylbut-
2-
en-
1-
yl)-
3,3a,4,5-
tetrahydro-
7
H
,11
H
-
1,5-
methanofuro[3,4-
g
]pyrano[3,2-
b
]xanthene-
7,15-
dione
Registry Number
Type
Source
11109912
Reaxys Registry Number
Reaxys
Citation
Type
Source
17117343
PubMed citation
Europe PMC
Last Modified
08 April 2013