FR 901464

CAT: 0926-WFA47872-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-WFA47872-03Size:25 mg

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CAS Number

146478-72-0

MDL Number

MFCD27665477

Smiles

CC1CC (C (OC1CC=C (C) C=CC2C (C3 (CC (O2) (C) O) CO3) O) C) NC (=O) C=CC (C) OC (=O) C

Molecular Formula

C27H41NO8

Molecular Weight

507.6 g/mol

Controlled

Chemical Information

FR901464

FR901464 is a spiro-epoxide with potent anticancer activity that lowers the mRNA levels of oncogenes and tumour supressor genes. It is isolated from Pseudomonas sp. no.2663. It has a role as an antimicrobial agent, an antineoplastic agent and a bacterial metabolite. It is a spiro-epoxide, a member of pyrans, a monocarboxylic acid amide, an acetate ester and a cyclic hemiketal.

CAS Number	146478-72-0
PubChem CID	10553647
IUPAC Name	[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate
Molecular Formula	C27H41NO8
Molecular Weight	507.6
XLogP	2
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	36
Formal Charge	0
Complexity	900

SMILES

C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2[C@H]([C@@]3(C[C@@](O2)(C)O)CO3)O)C)NC(=O)/C=C\[C@H](C)OC(=O)C

InChI

InChI=1S/C27H41NO8/c1-16(8-11-23-25(31)27(15-33-27)14-26(6,32)36-23)7-10-22-17(2)13-21(19(4)35-22)28-24(30)12-9-18(3)34-20(5)29/h7-9,11-12,17-19,21-23,25,31-32H,10,13-15H2,1-6H3,(H,28,30)/b11-8+,12-9-,16-7+/t17-,18-,19+,21+,22-,23+,25+,26-,27+/m0/s1

InChIKey

PJKVJJDQXZARCA-QHYZBLTGSA-N

Chemical Structure

2D Structure

CAS: 146478-72-0

CID: 10553647

Formula: C27H41NO8

MW: 507.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	507.6
XLogP3	2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	507.28321727
Monoisotopic Mass	507.28321727
Topological Polar Surface Area	127 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	900
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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FR 901464

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