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Acetyl aleurotolic acid

Family: Plantae - Euphorbiaceae
Kingdom: Plantae
Class: Terpenoid
- Subclass: Triterpenoid

Canonical Smiles	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@@]2(C1=CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C)C
InChI	InChI=1S/C32H50O4/c1-20(33)36-25-12-15-29(6)21(28(25,4)5)9-13-30(7)22(29)10-14-31(8)23(30)11-16-32(26(34)35)18-17-27(2,3)19-24(31)32/h11,21-22,24-25H,9-10,12-19H2,1-8H3,(H,34,35)/t21-,22+,24-,25-,29-,30+,31+,32+/m0/s1
InChIKey	UROPGAQBZGIPQC-VUHMTIHWSA-N
Formula	C₃₂H₅₀O₄
HBA	3
HBD	1
MW	498.75
Rotatable Bonds	2
TPSA	63.6
LogP	7.8
Number Rings	5
Number Aromatic Rings	0
Heavy Atom Count	36
Formal Charge	0
Fraction CSP3	0.88
Exact Mass	498.37
Number of Lipinski Rule Violations	1

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Croton megalocarpoides	Euphorbiaceae	Plantae	1704624
2	Croton alienus	Euphorbiaceae	Plantae	100370
3	Neoboutonia macrocalyx	Euphorbiaceae	Plantae	1260343
4	Erigeron floribundus	Asteraceae	Plantae	91244
5	Croton oligandrus	Euphorbiaceae	Plantae	3170015
6	Croton oligandrus	Euphorbiaceae	Plantae	3170015
7	Discoglypremna caloneura	Euphorbiaceae	Plantae	316671
8	Neoboutonia macrocalyx	Euphorbiaceae	Plantae	1260343
9	Alchornea cordifolia	Euphorbiaceae	Plantae	316697
10	Croton macrostachys	Euphorbiaceae	Plantae	1704622

Showing of synonyms

Toukam PD, Kom CW, et al. (2022). A new isoquinoline and ceramide from the stem barks of Discoglypremna caloneura (Pax) Prain (Euphorbiaceae) with antiproteinase and cytotoxic activities.. Natural product research,2022, 36(6), 1543-1551. [View] [PubMed]
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Guetchueng ST, Nahar L, et al. (2018). Ent-Clerodane Diterpenes from the Bark of Croton oligandrus Pierre ex Hutch. and Assessment of Their Cytotoxicity against Human Cancer Cell Lines. Molecules. 2018, 23(2), 410. [View] [PubMed]
Ndunda B, Langat MK, et al. (2016). New ent-Clerodane and Abietane Diterpenoids from the Roots of Kenyan Croton megalocarpoides Friis and M. G. Gilbert.. Planta Med,2016,82(11-12),1079-1086. [View] [PubMed]
Berto C, Maggi F, et al. (2014). Phenolic constituents of Erigeron floribundus (Asteraceae), a Cameroonian medicinal plant.. Natural Product Communications, 2014, 9(12), 1691-1964. [View] [PubMed]
Maffo T, Wafo P, et al. (2015). Terpenoids from the stem bark of Neoboutonia macrocalyx (Euphorbiaceae). Phytochemistry Letters, 2015, 12, 328-331. [View]