Calopocarpin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H20O4
Molecular Weight	324.3704
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC1=C(O)C=C2OC[C@@H]3[C@@H](OC4=CC(O)=CC=C34)C2=C1

InChI

InChIKey=CYXCYFYWIZXENQ-JXFKEZNVSA-N

InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H20O4
Molecular Weight	324.3704
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Sialidase 2 Target ID: CHEMBL5189 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20363636	Inhibitor 8504		1.57 µM [IC50]
CAS RN 9001-67-6 1 Target ID: CAS RN 9001-67-6 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20363636	Inhibitor 8504		7.55 µM [IC50]

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:17:29 GMT 2025` Edited by `admin` on `Wed Apr 02 05:17:29 GMT 2025`
Record UNII	SZ273LU37S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(6aR,11aR)-6a,11a-Dihydro-2-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol

Preferred Name

English

Calopocarpin

Common Name

English

(-)-Calopocarpi

Common Name

English

6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-2-(3-methyl-2-butenyl)-, (6aR-cis)-

Systematic Name

English

6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-2-(3-methyl-2-buten-1-yl)-, (6aR,11aR)-

Systematic Name

English

Code System Code Type Description

CAS

53802-77-0

Created by admin on Wed Apr 02 05:17:29 GMT 2025 , Edited by admin on Wed Apr 02 05:17:29 GMT 2025

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FDA UNII

SZ273LU37S

Created by admin on Wed Apr 02 05:17:29 GMT 2025 , Edited by admin on Wed Apr 02 05:17:29 GMT 2025

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PUBCHEM

11709595

Created by admin on Wed Apr 02 05:17:29 GMT 2025 , Edited by admin on Wed Apr 02 05:17:29 GMT 2025

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EPA CompTox

DTXSID801346750

Created by admin on Wed Apr 02 05:17:29 GMT 2025 , Edited by admin on Wed Apr 02 05:17:29 GMT 2025

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