AFLAVININE

Details

Stereochemistry	RACEMIC
Molecular Formula	C28H39NO
Molecular Weight	405.6154
Optical Activity	( + / - )
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=C([C@@H]2[C@H](C)CC[C@@]3(C)[C@H](C)CC[C@H](O)C23CC1)C4=CNC5=C4C=CC=C5

InChI

InChIKey=LXZADDNPPHIYMD-RCXONWMMSA-N

InChI=1S/C28H39NO/c1-17(2)20-13-15-28-24(30)11-10-19(4)27(28,5)14-12-18(3)26(28)25(20)22-16-29-23-9-7-6-8-21(22)23/h6-9,16-19,24,26,29-30H,10-15H2,1-5H3/t18-,19-,24+,26+,27+,28?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H39NO
Molecular Weight	405.6154
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:21:24 GMT 2025` Edited by `admin` on `Mon Mar 31 22:21:24 GMT 2025`
Record UNII	42N1443TXV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AFLAVININE

Common Name

English

AFLAVININE, (±)-

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40995845