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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:16114 - medicarpin
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ChEBI Ontology
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ChEBI Name
medicarpin
ChEBI ID
CHEBI:16114
Definition
A member of the class of pterocarpans that is 3-hydroxyptercarpan with a methoxy substituent at position 9.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:14576, CHEBI:18492, CHEBI:25177, CHEBI:27497
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Formula
C16H14O4
Net Charge
0
Average Mass
270.28000
Monoisotopic Mass
270.08921
InChI
InChI=1S/C16H14O4/c1-
18-
10-
3-
5-
11-
13-
8-
19-
14-
6-
9(17)
2-
4-
12(14)
16(13)
20-
15(11)
7-
10/h2-
7,13,16-
17H,8H2,1H3
InChIKey
NSRJSISNDPOJOP-UHFFFAOYSA-N
SMILES
COc1ccc2C3COc4cc(O)ccc4C3Oc2c1
Roles Classification
Biological Role
(s):
phytoalexin
A toxin made by a plant that acts against an organism attacking it.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
medicarpin (
CHEBI:16114
)
has role
phytoalexin (
CHEBI:26115
)
medicarpin (
CHEBI:16114
)
is a
pterocarpans (
CHEBI:26377
)
Incoming
(−)-medicarpin (
CHEBI:100
)
is a
medicarpin (
CHEBI:16114
)
(+)-medicarpin (
CHEBI:6714
)
is a
medicarpin (
CHEBI:16114
)
IUPAC Name
9-methoxy-6a,11a-dihydro-6
H
-[1]benzofuro[3,2-
c
]chromen-3-ol
Synonym
Source
medicarpin
UniProt
Registry Number
Type
Source
1322055
Beilstein Registry Number
Beilstein
Last Modified
10 March 2017