GANCAONIN R

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H30O4
Molecular Weight	382.4926
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC1=C(CCC2=CC(O)=C(O)C=C2)C(CC=C(C)C)=C(O)C=C1O

InChI

InChIKey=QFAPONVNJTUMHF-UHFFFAOYSA-N

InChI=1S/C24H30O4/c1-15(2)5-9-19-18(11-7-17-8-12-21(25)24(28)13-17)20(10-6-16(3)4)23(27)14-22(19)26/h5-6,8,12-14,25-28H,7,9-11H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C24H30O4
Molecular Weight	382.4926
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 `Sat Dec 16 09:44:51 UTC 2023` Edited by `admin` on `Sat Dec 16 09:44:51 UTC 2023`
Record UNII	7R4D58E9BQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GANCAONIN R

Common Name

English

5-(2-(3,4-DIHYDROXYPHENYL)ETHYL)-4,6-BIS(3-METHYLBUT-2-ENYL)BENZENE-1,3-DIOL

Systematic Name

English

1,2-BENZENEDIOL, 4-(2-(3,5-DIHYDROXY-2,6-BIS(3-METHYL-2-BUTENYL)PHENYL)ETHYL)-

Systematic Name

English

4-(2-(3,5-DIHYDROXY-2,6-BIS(3-METHYL-2-BUTEN-1-YL)PHENYL)ETHYL)-1,2-BENZENEDIOL

Systematic Name

English

Code System Code Type Description

CAS

134958-53-5

Created by admin on Sat Dec 16 09:44:51 UTC 2023 , Edited by admin on Sat Dec 16 09:44:51 UTC 2023

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PUBCHEM

480815

Created by admin on Sat Dec 16 09:44:51 UTC 2023 , Edited by admin on Sat Dec 16 09:44:51 UTC 2023

PRIMARY

EPA CompTox

DTXSID70159155

Created by admin on Sat Dec 16 09:44:51 UTC 2023 , Edited by admin on Sat Dec 16 09:44:51 UTC 2023

PRIMARY

FDA UNII

7R4D58E9BQ

Created by admin on Sat Dec 16 09:44:51 UTC 2023 , Edited by admin on Sat Dec 16 09:44:51 UTC 2023

PRIMARY

Related Record Type Details


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Comments:

Gancaonin R (13, 0.021 mM), showed relatively higher cytotoxic activity against human oral squamous cell carcinoma cell line HSC-2.

Amount: