DAUCOSTEROL

Structure

2D structure of DAUCOSTEROL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5742590

Names and identifiers

Name

DAUCOSTEROL

IUPAC name

(2R,3R,4S,5S,6R)-2-(((3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C

General information

Molecular formula

C35H60O6

Molecular weight

576.86 g/mol

Monoisotopic mass

576.4390 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Acer negundo L. leaf -
Inoue, T., Sakurai, N., Nagai, S., Nagai, M. (1992). Studies on the constituents of Aceraceae plants (x). isolation of flavonoid glycosides and a cerebroside from the leaves of Acer negundo. Shoyakugaku Zasshi, 46(3), 261-264
Arctium lappa L. seed 171 ppm
Jim Duke's personal files.
Aristolochia clematitis L. aerial parts -
Kostalova, D., Hrochova, V., Pronayova, N., Lesko, J. (1991). Constituents of Aristolochia clematitis L. Chem Pap, 45(5), 713-716
Daucus carota L. root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Eleusine indica (L.) Gaertn. - -
Nguyen, P.H., Tran, V.S., Ripperger, H., Adam, G. (1994). Sterol glucosides from Eleusine indica. Planta Med, 60(5), 498 doi:10.1055/s-2006-959556
Galega officinalis L. aerial parts 260 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Linaria vulgaris Mill. subsp. vulgaris - -
Hua, H., Li, X., Zhang, H.Q. (2000). Steroids from Linaria vulgaris Mill. Shenyang Yaoxueyuan Xuebao, 17(1), 40-42
Matricaria chamomilla L. flower -
Ahmad, A., Misra, L.N. (1997). Isolation of herniarin and other constituents from Matricaria chamomilla flowers. Int J Pharmacog, 35(2), 121-125 doi:10.1076/phbi.35.2.121.13280
Mutarda arvensis (L.) D.A.German seed -
Ali, A.A., Hassanean, H.A., Mohammed, M.H., Kamel, M.S., Elkhayat, E.S. (2000). Chemical and biological studies of Sinapis arvensis growing in egypt. Bull Pharm Sci Assiut Univ, 23(2), 99-109 doi:10.21608/bfsa.2000.66323
Prunella grandiflora (L.) Scholler - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Prunella vulgaris L. subsp. vulgaris - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Stellaria media (L.) Vill. aerial parts -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Taraxacum F.H.Wigg. sect. Taraxacum root 480 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Urtica dioica L. root 109 ppm
Jim Duke's personal files.