Fluoroindolocarbazole A

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Description

Fluoroindolocarbazole A is found in the strain of Saccharothrothrix aerocolonigenes ATCC 39243. Fluoroindolocarbazole A has antitumor effect[1].

CAS Number

138829-50-2

UNSPSC

12352005

Target

Others

Related Pathways

Others

Field of Research

Cancer

Smiles

O=C1C2=C3C(N([C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)OC)CO)C5=CC(F)=CC=C53)=C6C(C7=CC=C(F)C=C7N6)=C2C(N1)=O

Molecular Formula

C27H21F2N3O7

Molecular Weight

537.47

References & Citations

[1]K S Lam, et al. Production, isolation and structure determination of novel fluoroindolocarbazoles from Saccharothrix aerocolonigenes ATCC 39243. J Antibiot (Tokyo) . 2001 Jan;54 (1) :1-9.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Fluoroindolocarbazole A

Fluoroindolocarbazole A has been reported in Lechevalieria aerocolonigenes with data available.

CAS Number	138829-50-2
PubChem CID	10052915
IUPAC Name	3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-6,20-difluoro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Molecular Formula	C27H21F2N3O7
Molecular Weight	537.5
XLogP	1.6
Topological Polar Surface Area	146
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	39
Formal Charge	0
Complexity	1010

SMILES

CO[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)N2C3=C(C=CC(=C3)F)C4=C5C(=C6C7=C(C=C(C=C7)F)NC6=C42)C(=O)NC5=O)CO

InChI

InChI=1S/C27H21F2N3O7/c1-38-24-15(8-33)39-27(23(35)22(24)34)32-14-7-10(29)3-5-12(14)17-19-18(25(36)31-26(19)37)16-11-4-2-9(28)6-13(11)30-20(16)21(17)32/h2-7,15,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)/t15-,22-,23-,24-,27-/m1/s1

InChIKey

HASPDWQMLDEIPM-HHJYCPGKSA-N

Chemical Structure

2D Structure

CAS: 138829-50-2

CID: 10052915

Formula: C27H21F2N3O7

MW: 537.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	537.5
XLogP3	1.6
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	537.13475634
Monoisotopic Mass	537.13475634
Topological Polar Surface Area	146 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19255891-01	Fluoroindolocarbazole A
GTR19255483-01	Fluoroindolocarbazole C
GTR19255414-01	Fluoroindolocarbazole B

Fluoroindolocarbazole A

Chemical Information

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