DIHYDROXYAFLAVININE

Details

Stereochemistry	RACEMIC
Molecular Formula	C28H39NO3
Molecular Weight	437.6142
Optical Activity	( + / - )
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](CO)C1=C([C@@H]2[C@H](C)C[C@@H](O)[C@@]3(C)[C@H](C)CC[C@H](O)[C@@]23CC1)C4=CNC5=C4C=CC=C5

InChI

InChIKey=ZMEZVDUXYBOYTB-MPNNTWSSSA-N

InChI=1S/C28H39NO3/c1-16-13-24(32)27(4)18(3)9-10-23(31)28(27)12-11-19(17(2)15-30)25(26(16)28)21-14-29-22-8-6-5-7-20(21)22/h5-8,14,16-18,23-24,26,29-32H,9-13,15H2,1-4H3/t16-,17-,18-,23+,24-,26+,27-,28+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

DIHYDROXYAFLAVININE

Common Name

English

20,26-DIHYDROXYAFLAVININE

Preferred Name

English

DIHYDROXYAFLAVININE, (±)-

Common Name

English

1H-BENZO(D)NAPHTHALENE-1,5-DIOL, 2,3,4,4A,5,6,7,7A,10,11-DECAHYDRO-9-((1R)-2-HYDROXY-1-METHYLETHYL)-8-(1H-INDOL-3-YL)-4,4A,7-TRIMETHYL-, (1R,4S,4AR,5S,7S,7AR,11AR)-REL-

Systematic Name

English

AFLAVININE, DIHYDROXY-

Common Name

English

1H-BENZO(D)NAPHTHALENE-1,5-DIOL, 2,3,4,4A,5,6,7,7A,10,11-DECAHYDRO-9-(2-HYDROXY-1-METHYLETHYL)-8-(1H-INDOL-3-YL)-4,4A,7-TRIMETHYL-, (1.ALPHA.,4.ALPHA.,4A.ALPHA.,5.BETA.,7.ALPHA.,7A.BETA.,9(R*),11AR*)-

Systematic Name

English

Code System Code Type Description

CAS

76410-56-5

Created by admin on Mon Mar 31 23:07:02 GMT 2025 , Edited by admin on Mon Mar 31 23:07:02 GMT 2025

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EPA CompTox

DTXSID00997805

Created by admin on Mon Mar 31 23:07:02 GMT 2025 , Edited by admin on Mon Mar 31 23:07:02 GMT 2025

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FDA UNII

6641NS59FP

Created by admin on Mon Mar 31 23:07:02 GMT 2025 , Edited by admin on Mon Mar 31 23:07:02 GMT 2025

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PUBCHEM

121491117

Created by admin on Mon Mar 31 23:07:02 GMT 2025 , Edited by admin on Mon Mar 31 23:07:02 GMT 2025

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SUBSTANCE RECORD


					6641NS59FP

DIHYDROXYAFLAVININE