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> Main
CHEBI:132346 - neotriptophenolide
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ChEBI Ontology
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ChEBI Name
neotriptophenolide
ChEBI ID
CHEBI:132346
Definition
A tetracyclic diterpenoid with formula C
21
H
26
O
4
, originally isolated from
Tripterygium wilfordii
and
Tripterygium hypoglaucum
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C21H26O4
Net Charge
0
Average Mass
342.430
Monoisotopic Mass
342.18311
InChI
InChI=1S/C21H26O4/c1-
11(2)
14-
9-
17(22)
18-
13(19(14)
24-
4)
5-
6-
16-
15-
10-
25-
20(23)
12(15)
7-
8-
21(16,18)
3/h9,11,16,22H,5-
8,10H2,1-
4H3/t16-
,21-
/m0/s1
InChIKey
YQHBJMHUMJXFDN-KKSFZXQISA-N
SMILES
O1CC=2[C@]3([C@](CCC2C1=O)(C=4C(CC3)=C(OC)C(=CC4O)C(C)C)C)[H]
Metabolite of Species
Details
Tripterygium hypoglaucum
(NCBI:txid205465)
See:
PubMed
Tripterygium wilfordii
(NCBI:txid458696)
See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
neotriptophenolide (
CHEBI:132346
)
has role
plant metabolite (
CHEBI:76924
)
neotriptophenolide (
CHEBI:132346
)
is a
γ-lactone (
CHEBI:37581
)
neotriptophenolide (
CHEBI:132346
)
is a
aromatic ether (
CHEBI:35618
)
neotriptophenolide (
CHEBI:132346
)
is a
organic heterotetracyclic compound (
CHEBI:38163
)
neotriptophenolide (
CHEBI:132346
)
is a
phenols (
CHEBI:33853
)
neotriptophenolide (
CHEBI:132346
)
is a
tetracyclic triterpenoid (
CHEBI:26893
)
IUPAC Name
(3b
R
,9b
S
)-
9-
hydroxy-
6-
methoxy-
9b-
methyl-
7-
(propan-
2-
yl)-
3b,4,5,9b,10,11-
hexahydrophenanthro[1,2-
c
]furan-
1(3
H
)-
one
Manual Xrefs
Databases
133766
PubChem
C00037548
KNApSAcK
View more database links
Registry Numbers
Types
Sources
7391194
Reaxys Registry Number
Reaxys
81827-74-9
CAS Registry Number
KNApSAcK
81827-74-9
CAS Registry Number
ChemIDplus
Citation
Type
Source
7102323
PubMed citation
Europe PMC
Last Modified
24 October 2016