ILICICOLIN B

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H32O3
Molecular Weight	356.4984
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(O)C(C=O)=C(C)C=C1O

InChI

InChIKey=QAPOXOGEDXIOHD-VZRGJMDUSA-N

InChI=1S/C23H32O3/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-22(25)14-19(5)21(15-24)23(20)26/h8,10,12,14-15,25-26H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+

HIDE SMILES / InChI

Molecular Formula	C23H32O3
Molecular Weight	356.4984
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Taxonomy ID: 5702 1 Target ID: Taxonomy ID: 5702 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18667785	Inhibitor 8297
Taxonomy ID: 31286 5 Target ID: Taxonomy ID: 31286 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18667785	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:09:19 GMT 2023` Edited by `admin` on `Sat Dec 16 12:09:19 GMT 2023`
Record UNII	7A7A8AHW1U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ILICICOLIN B

Common Name

English

LL-Z 1272.BETA.

Code

English

2,4-DIHYDROXY-6-METHYL-3-((2E,6E)-3,7,11-TRIMETHYL-2,6,10-DODECATRIEN-1-YL)BENZALDEHYDE

Systematic Name

English

.BETA.-RESORCYLALDEHYDE, 6-METHYL-3-(3,7,11-TRIMETHYL-2,6,10-DODECATRIENYL)-

Systematic Name

English

BENZALDEHYDE, 2,4-DIHYDROXY-6-METHYL-3-((2E,6E)-3,7,11-TRIMETHYL-2,6,10-DODECATRIEN-1-YL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

7A7A8AHW1U

Created by admin on Sat Dec 16 12:09:19 GMT 2023 , Edited by admin on Sat Dec 16 12:09:19 GMT 2023

PRIMARY

CAS

22581-07-3

Created by admin on Sat Dec 16 12:09:19 GMT 2023 , Edited by admin on Sat Dec 16 12:09:19 GMT 2023

PRIMARY

CHEBI

146153

Created by admin on Sat Dec 16 12:09:19 GMT 2023 , Edited by admin on Sat Dec 16 12:09:19 GMT 2023

PRIMARY

PUBCHEM

10405997

Created by admin on Sat Dec 16 12:09:19 GMT 2023 , Edited by admin on Sat Dec 16 12:09:19 GMT 2023

PRIMARY

Related Record Type Details


					7A7A8AHW1U

ILICICOLIN B

ACTIVE MOIETY

Comments:

Ilicicolin H is a polyketidenonribosomal peptide synthase (NRPS)natural product isolated from Gliocadium roseum, which exhibits potent and broad spectrum antifungal activity, with sub-.MU.g/mL MICs against Candida spp., Aspergillus f umigatus, and Cryptococcus spp. It showed a novel mode of action, potent inhibition (IC50 = 23 ng/mL) of the mitochondrial cytochrome bc1 reductase, and over 1000-fold selectivity relative to rat liver cytochrome bc1 reductase.