ISOGMELINOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26O7
Molecular Weight	402.4376
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CO[C@H](C3=CC=C(OC)C(OC)=C3)[C@@]1(O)CO[C@@H]2C4=CC=C(OC)C(OC)=C4

InChI

InChIKey=MEIWPHMJWJAVIY-FPHUIIFBSA-N

InChI=1S/C22H26O7/c1-24-16-7-5-13(9-18(16)26-3)20-15-11-28-21(22(15,23)12-29-20)14-6-8-17(25-2)19(10-14)27-4/h5-10,15,20-21,23H,11-12H2,1-4H3/t15-,20-,21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H26O7
Molecular Weight	402.4376
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:23:49 UTC 2023` Edited by `admin` on `Sat Dec 16 09:23:49 UTC 2023`
Record UNII	4GD96DA7PV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOGMELINOL

Common Name

English

NSC-36565

Code

English

1H,3H-FURO(3,4-C)FURAN-3A(4H)-OL, 1,4-BIS(3,4-DIMETHOXYPHENYL)DIHYDRO-, (1.ALPHA.,3A.ALPHA.,4.ALPHA.,6A.ALPHA.)-

Systematic Name

English

Code System Code Type Description

CAS

597-01-3

Created by admin on Sat Dec 16 09:23:49 UTC 2023 , Edited by admin on Sat Dec 16 09:23:49 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

6993843

Created by admin on Sat Dec 16 09:23:49 UTC 2023 , Edited by admin on Sat Dec 16 09:23:49 UTC 2023

PRIMARY

NSC

36565

Created by admin on Sat Dec 16 09:23:49 UTC 2023 , Edited by admin on Sat Dec 16 09:23:49 UTC 2023

PRIMARY

FDA UNII

4GD96DA7PV

Created by admin on Sat Dec 16 09:23:49 UTC 2023 , Edited by admin on Sat Dec 16 09:23:49 UTC 2023

PRIMARY

Related Record Type Details


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Amount:


					PGP3T1W72W

CENTIPEDA MINIMA FLOWERING TOP

PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT

Comments:

2.8 uM IC50 for PAF binding in rabbit blood.