Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:132347 - triptonolide
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
triptonolide
ChEBI ID
CHEBI:132347
Definition
A tetracyclic diterpenoid with formula C
20
H
22
O
4
, originally isolated from
Tripterygium wilfordii
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C20H22O4
Net Charge
0
Average Mass
326.387
Monoisotopic Mass
326.15181
InChI
InChI=1S/C20H22O4/c1-
10(2)
11-
4-
5-
14-
17(18(11)
22)
16(21)
8-
15-
13-
9-
24-
19(23)
12(13)
6-
7-
20(14,15)
3/h4-
5,10,15,22H,6-
9H2,1-
3H3/t15-
,20+/m1/s1
InChIKey
MHZZHUMKOAYLPH-QRWLVFNGSA-N
SMILES
O1CC=2[C@@]3([C@@](CCC2C1=O)(C=4C(C(C3)=O)=C(O)C(=CC4)C(C)C)C)[H]
Metabolite of Species
Details
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
triptonolide (
CHEBI:132347
)
has role
plant metabolite (
CHEBI:76924
)
triptonolide (
CHEBI:132347
)
is a
γ-lactone (
CHEBI:37581
)
triptonolide (
CHEBI:132347
)
is a
aromatic ketone (
CHEBI:76224
)
triptonolide (
CHEBI:132347
)
is a
cyclic terpene ketone (
CHEBI:36130
)
triptonolide (
CHEBI:132347
)
is a
organic heterotetracyclic compound (
CHEBI:38163
)
triptonolide (
CHEBI:132347
)
is a
phenols (
CHEBI:33853
)
triptonolide (
CHEBI:132347
)
is a
tetracyclic triterpenoid (
CHEBI:26893
)
IUPAC Name
(3b
R
,9b
S
)-
6-
hydroxy-
9b-
methyl-
7-
(propan-
2-
yl)-
3,3b,4,9b,10,11-
hexahydrophenanthro[1,2-
c
]furan-
1,5-
dione
Registry Number
Type
Source
7440891
Reaxys Registry Number
Reaxys
Citation
Type
Source
7304185
PubMed citation
Europe PMC
Last Modified
24 October 2016