CARAROSINOL E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H22O7
Molecular Weight	470.4701
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC=C(\C=C/C2=CC(O)=CC3=C2[C@@H]([C@H](O3)C4=CC=C(O)C(O)=C4)C5=CC(O)=CC(O)=C5)C=C1

InChI

InChIKey=VJVQHVVOEFJLIO-VDPVFUKISA-N

InChI=1S/C28H22O7/c29-19-6-2-15(3-7-19)1-4-16-9-22(32)14-25-26(16)27(18-10-20(30)13-21(31)11-18)28(35-25)17-5-8-23(33)24(34)12-17/h1-14,27-34H/b4-1-/t27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H22O7
Molecular Weight	470.4701
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:44:50 UTC 2023` Edited by `admin` on `Sat Dec 16 10:44:50 UTC 2023`
Record UNII	IMO0W76348
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CARAROSINOL E

Common Name

English

1,2-BENZENEDIOL, 4-((2S,3S)-3-(3,5-DIHYDROXYPHENYL)-2,3-DIHYDRO-6-HYDROXY-4-((1Z)-2-(4-HYDROXYPHENYL)ETHENYL)-2-BENZOFURANYL)-

Systematic Name

English

Code System Code Type Description

CAS

866248-57-9

Created by admin on Sat Dec 16 10:44:51 UTC 2023 , Edited by admin on Sat Dec 16 10:44:51 UTC 2023

PRIMARY

PUBCHEM

73425509

Created by admin on Sat Dec 16 10:44:51 UTC 2023 , Edited by admin on Sat Dec 16 10:44:51 UTC 2023

PRIMARY

FDA UNII

IMO0W76348

Created by admin on Sat Dec 16 10:44:51 UTC 2023 , Edited by admin on Sat Dec 16 10:44:51 UTC 2023

PRIMARY

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					B5ZXF484DK

SMILAX CHINA ROOT

PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT

Comments:

Activity against BACE-1 with Ki value of 5.4 x 10-6M and IC50 of 1.4 x 10-6M.