CAS 61080-23-7PubChem CID 11954193
Glyceollin Iii
Glyceollin III is a benzofuropyranochromene that is 1,2-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromene substituted at positions 6a and 9 by hydroxy groups and at position 2 by a prop-1-en-2-yl group. It has a role as a phytoalexin, an antifungal agent and an anti-estrogen.
— ChEBI
- IUPAC name
- (1S,6S,13S)-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol
- Molecular formula
- C20H18O5
- Molecular weight
- 338.4 g/mol
- Exact mass
- 338.11542367 Da
- XLogP3
- 2.9
- Topological polar surface area
- 68.2 Ų
- Hydrogen-bond donors
- 2
- Hydrogen-bond acceptors
- 5
- Covalent units
- 1
- Defined stereocentres
- 3
Also known as
629FG6XLLLCHEBI:52086(2S,6aS,11aS)-2-(prop-1-en-2-yl)-1,2-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromene-6a,9(11aH)-diol(1S,6S,13S)-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo(11.7.0.02,10.04,8.014,19)icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol(2S,6aS,11aS)-2-(prop-1-en-2-yl)-1,2-dihydro-6H-(1)benzofuro(3,2-c)furo(3,2-g)chromene-6a,9(11aH)-diolRefChem:1437696H-Benzofuro(3,2-c)furo(3,2-g)(1)benzopyran-6a,9(11aH)-diol1,2-dihydro-2-(1-methylethenyl)-, (2S-(2alpha,6aalpha,11aalpha))-
6 more reported names
UNII-629FG6XLLL6H-Benzofuro(3,2-c)furo(3,2-g)(1)benzopyran-6a,9(11aH)-diol, 1,2-dihydro-2-(1-methylethenyl)-, (2S-(2alpha,6aalpha,11aalpha))-(2S,6aS,11aS)-2-(Prop-1-en-2-yl)-1,2-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g][1]benzopyran-6a,9(11aH)-diol(2S,6aS,11aS)-2-Isopropenyl-1,2-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromene-6a,9(11aH)-diol6H-BENZOFURO(3,2-C)FURO(3,2-G)(1)BENZOPYRAN-6A,9(11AH)-DIOL, 1,2-DIHYDRO-2-(1-METHYLETHENYL)-, (2S,6AS,11AS)-6H-BENZOFURO(3,2-C)FURO(3,2-G)(1)BENZOPYRAN-6A,9(11AH)-DIOL, 1,2-DIHYDRO-2-(1-METHYLETHENYL)-, (2S-(2.ALPHA.,6A.BETA.,11A.BETA.))-
External database identifiers
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.