PENTOSALEN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H14O4
Molecular Weight	270.28
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PENTOSALEN

Structure Search

SMILES

CC(C)=CCOC1=C2OC(=O)C=CC2=CC3=C1OC=C3

InChI

InChIKey=OLOOJGVNMBJLLR-UHFFFAOYSA-N

InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C16H14O4
Molecular Weight	270.28
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:10:33 UTC 2023` Edited by `admin` on `Fri Dec 15 16:10:33 UTC 2023`
Record UNII	K713N25C78
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PENTOSALEN

Common Name

English

Pentosalen [WHO-DD]

Common Name

English

AMMIDIN

Common Name

English

NSC-402949

Code

English

MARMELOSIN

Common Name

English

9-(3-METHYLBUT-2-ENYLOXY)FURO(3,2-G)CHROMEN-7-ONE

Systematic Name

English

8-ISOAMYLENOXYPSORALEN

Common Name

English

IMPERATORIN

Common Name

English

PENTOSALEN [HSDB]

Common Name

English

6-HYDROXY-7-(3-METHYL-2-BUTENYLOXY)-5-BENZOFURANACRYLIC ACID .GAMMA.-LACTONE

Common Name

English

IMPERATORIN [MI]

Common Name

English

9-((3-METHYL-2-BUTENYL)OXY)-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE

Systematic Name

English

MARMELOSIN [USP-RS]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C45597

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

Code System Code Type Description

ECHA (EC/EINECS)

207-581-1

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

NCI_THESAURUS

C63672

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

HSDB

3497

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

WIKIPEDIA

IMPERATORIN

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

MERCK INDEX

m6237

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

Merck Index

EPA CompTox

DTXSID8048737

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

FDA UNII

K713N25C78

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

NSC

402949

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

PUBCHEM

10212

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

CHEBI

5885

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

ChEMBL

CHEMBL453805

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

EVMPD

SUB14799MIG

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

RS_ITEM_NUM

1375295

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

MESH

C031534

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

SMS_ID

100000079778

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

CAS

482-44-0

Created by admin on Fri Dec 15 16:10:33 UTC 2023 , Edited by admin on Fri Dec 15 16:10:33 UTC 2023

PRIMARY

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