Monacolin J (Q15720548)

canonical SMILES

CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)O

1 reference

isomeric SMILES

C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)O

0 references

found in taxon

Monascus ruber

3 references

Monacolins J and L, new inhibitors of cholesterol biosynthesis produced by Monascus ruber

Monacolins J and L, new inhibitors of cholesterol biosynthesis produced by Monascus ruber

Biosynthesis of monacolins: conversion of monacolin L to monacolin J by a monooxygenase of Monascus ruber

Identifiers

InChI

InChI=1S/C19H28O4/c1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15/h3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3/t11-,12-,14+,15+,16-,17-,19-/m0/s1

1 reference

2 references

ChEBI release 2020-09-01

CAS Registry Number

79952-42-4

1 reference

https://commonchemistry.cas.org/detail?cas_rn=79952-42-4

9 April 2021

ChemSpider ID

117609

1 reference

imported from Wikimedia project

English Wikipedia

PubChem CID

9905162

2 references

imported from Wikimedia project

English Wikipedia

ChEBI ID

79034

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C19H28O4/c1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15/h3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3/t11-,12-,14+,15+,16-,17-,19-/m0/s1

SureChEMBL ID

SCHEMBL1820283

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

EC number

616-759-1

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.110.662

retrieved

27 December 2018

title

2H-Pyran-2-one, 6-[2-[(1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthalenyl]ethyl]tetrahydro-4-hydroxy-, (4R,6R)- (English)

quotation

CAS no.: 79952-42-4 (English)

ECHA Substance Infocard ID

100.110.662

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.110.662

retrieved

27 December 2018

title

2H-Pyran-2-one, 6-[2-[(1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthalenyl]ethyl]tetrahydro-4-hydroxy-, (4R,6R)- (English)

quotation

CAS no.: 79952-42-4 (English)

0 references

1 reference