Crocacin A

CAT: 0013-GTR19256251-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19256251-01Size:10 mg

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Description

Crocacin A exhibits activity against yeast and filamentous fungi. It inhibits the proliferation of mouse fibroblast L929 cells. In calf heart microsomes, Crocacin A obstructs electron transfer at the bc1 segment, resulting in a red shift of the cytochrome B reduced spectrum at the 569 nm peak.

CAS Number

157698-34-5

Field of Research

Infectious Disease & Virology

Smiles

[C@@H] ([C@@H] ([C@H] (/C=C/C1=CC=CC=C1) OC) C) ([C@H] (/C=C/C (=C/C (N/C=C\C/C=C\C (NCC (OC) =O) =O) =O) /C) C) OC

Molecular Formula

C31H42N2O6

Molecular Weight

538.675

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Crocacin A

Crocacin A has been reported in Chondromyces crocatus with data available.

CAS Number	157698-34-5
PubChem CID	6476008
IUPAC Name	methyl 2-[[(2Z,5Z)-6-[[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-11-phenylundeca-2,4,10-trienoyl]amino]hexa-2,5-dienoyl]amino]acetate
Molecular Formula	C31H42N2O6
Molecular Weight	538.7
XLogP	4.9
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	17
Heavy Atom Count	39
Formal Charge	0
Complexity	899

SMILES

C[C@@H](/C=C/C(=C/C(=O)N/C=C\C/C=C\C(=O)NCC(=O)OC)/C)[C@@H]([C@H](C)[C@H](/C=C/C1=CC=CC=C1)OC)OC

InChI

InChI=1S/C31H42N2O6/c1-23(21-29(35)32-20-12-8-11-15-28(34)33-22-30(36)38-5)16-17-24(2)31(39-6)25(3)27(37-4)19-18-26-13-9-7-10-14-26/h7,9-21,24-25,27,31H,8,22H2,1-6H3,(H,32,35)(H,33,34)/b15-11-,17-16+,19-18+,20-12-,23-21+/t24-,25+,27-,31-/m0/s1

InChIKey

XHTUDGVBJDVOEZ-PSXYSELWSA-N

Chemical Structure

2D Structure

CAS: 157698-34-5

CID: 6476008

Formula: C31H42N2O6

MW: 538.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	538.7
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	17
Exact Mass	538.30428706
Monoisotopic Mass	538.30428706
Topological Polar Surface Area	103 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	899
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	5
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-N14038	Crocacin A
HY-N14044	Crocacin D
HY-N14043	Crocacin C
HY-N14040	Crocacin B

Crocacin A

Chemical Information

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