.ALPHA.-AMANITIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H54N10O14S
Molecular Weight	918.97
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(NC(=O)CNC(=O)[C@@H]2CC3=C(NC4=C3C=CC(O)=C4)[S@+]([O-])C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@]([H])([C@@H](C)[C@@H](O)CO)C(=O)N2)[C@@H](C)CC

InChI

InChIKey=CIORWBWIBBPXCG-SXZCQOKQSA-N

InChI=1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(H,45,58)(H,47,56)(H,48,59)/t16-,17-,19+,23-,24-,25-,26-,27-,31-,32-,64+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H54N10O14S
Molecular Weight	918.97
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
DNA-directed RNA polymerase II subunit RPB1 2 Target ID: CHEMBL1641353 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8760875	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:32:49 GMT 2023` Edited by `admin` on `Sat Dec 16 09:32:49 GMT 2023`
Record UNII	E04K0QZ999
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-AMANITIN

Common Name

English

.ALPHA.-AMANITINE

Common Name

English

AMANITIN, .ALPHA.-

Common Name

English

.ALPHA.-AMANITIN [HSDB]

Common Name

English

.ALPHA.-AMATOXIN

Common Name

English

CYCLIC(L-ASPARAGINYL-4-HYDROXY-L-PROLYL-(R)-4,5-DIHYDROXY-L- ISOLEUCYL-6-HYDROXY-2-MERCAPTO-L-TRYPTOPHYLGLYCYL-L- ISOLEUCYLGLYCYL-L-CYSTEINYL), CYCLIC (4->8)-SULFIDE, (R)-S- OXIDE

Common Name

English

.ALPHA.-AMANITIN [MI]

Common Name

English

Code System Code Type Description

CAS

23109-05-9