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> Main
CHEBI:66670 - maoecrystal Z
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ChEBI Name
maoecrystal Z
ChEBI ID
CHEBI:66670
Definition
A tetracyclic diterpenoid isolated from the leaves of a Chinese medicinal herb
Isodon eriocalyx
and has been shown to exhibit cytotoxicity towards human tumour cells.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H30O6
Net Charge
0
Average Mass
390.47000
Monoisotopic Mass
390.20424
InChI
InChI=1S/C22H30O6/c1-
12(10-
23)
14-
8-
15(28-
13(2)
24)
16-
21-
7-
5-
6-
20(3,4)
17(21)
18(25)
22(16,9-
14)
19(26)
27-
11-
21/h10,14-
18,25H,1,5-
9,11H2,2-
4H3/t14-
,15-
,16+,17-
,18+,21-
,22+/m1/s1
InChIKey
WAOUILKFOLDIAX-NJOKITKISA-N
SMILES
[H][C@]12[C@H](O)[C@]34C[C@@H](C[C@@H](OC(C)=O)[C@@]3([H])[C@@]1(CCCC2(C)C)COC4=O)C(=C)C=O
Metabolite of Species
Details
Isodon eriocalyx
(IPNI:448573-1)
Found in leaf
(BTO:0000713)
. 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
maoecrystal Z (
CHEBI:66670
)
has role
antineoplastic agent (
CHEBI:35610
)
maoecrystal Z (
CHEBI:66670
)
has role
metabolite (
CHEBI:25212
)
maoecrystal Z (
CHEBI:66670
)
is a
δ-lactone (
CHEBI:18946
)
maoecrystal Z (
CHEBI:66670
)
is a
acetate ester (
CHEBI:47622
)
maoecrystal Z (
CHEBI:66670
)
is a
aldehyde (
CHEBI:17478
)
maoecrystal Z (
CHEBI:66670
)
is a
bridged compound (
CHEBI:35990
)
maoecrystal Z (
CHEBI:66670
)
is a
tetracyclic diterpenoid (
CHEBI:52557
)
IUPAC Name
(4a
S
,4b
S
,5
R
,7
S
,8a
S
,9
S
,9a
R
)-
9-
hydroxy-
1,1-
dimethyl-
10-
oxo-
7-
(3-
oxoprop-
1-
en-
2-
yl)decahydro-
4b
H
-
4a,8a-
(methanooxymethano)fluoren-
5-
yl acetate
Synonym
Source
6β-
hydroxy-
11α-
acetoxy-
6,7:8,15-
di-
seco-
7,20-
olide-
6,8-
cyclo-
ent
-
kaur-
16-
en-
15-
aldehyde
ChEBI
Registry Number
Type
Source
10606514
Reaxys Registry Number
Reaxys
Citation
Type
Source
17020288
PubMed citation
Europe PMC
Last Modified
04 April 2013