ANPDB

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Beta-amyrin acetate

Canonical Smiles	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C
InChI	InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26-,29+,30-,31+,32+/m0/s1
InChIKey	UMRPOGLIBDXFNK-ZYGITSNFSA-N
Formula	C₃₂H₅₂O₂
HBA	2
HBD	0
MW	468.77
Rotatable Bonds	1
TPSA	26.3
LogP	8.74
Number Rings	5
Number Aromatic Rings	0
Heavy Atom Count	34
Formal Charge	0
Fraction CSP3	0.91
Exact Mass	468.4
Number of Lipinski Rule Violations	1

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Periploca laevigata	Apocynaceae	Plantae	413294
2	Scorzonera undulata	Asteraceae	Plantae	268100
3	Sonchus macrocarpus	Asteraceae	Plantae	2984305
4	Ficus sur	Moraceae	Plantae	100575
5	Dacryodes edulis	Burseraceae	Plantae	246365
6	Tridesmostemon omphalocarpoides	Sapotaceae	Plantae	2709045
7	Baillonella toxisperma (Pierre)	Sapotaceae	Plantae	568230

Showing of synonyms

Dongmo KJJ, Tali MBT, et al. (2023). In vitro antiplasmodial activity and toxicological profile of extracts, fractions and chemical constituents of leaves and stem bark from Dacryodes edulis (Burseraceae).. BMC complementary medicine and therapies,2023, 23(1), 211. [View] [PubMed]
Pierre Yemback, Kenneth O. Eyong, et al. (2023). Lupane derivatives: Design, isolation, synthesis and evaluation of antiplasmodial activity against Plasmodium falciparum 3D7 strain. Phytochemistry Letters, 2023, 57, 26-35. [View]
Askri M, Mighri Z, et al. (1989). Medicinal plants of Tunisia. the structure of periplocadiol, a new elemane-type sesquiterpene isolated from the roots of Periploca laevigata. Journal of Natural Products,1989,52(4),792-796. [View]
Fru C, Sandjo L, et al. (2013). Omphalocarpoidone, a new lanostane-type furano-spiro-γ-lactone from the wood of Tridesmostemon omphalocarpoides Engl. (Sapotaceae). Phytochemistry Letters, 2013, 6(4), 676-680. [View]
Harkati B, Akkal S, et al. (2010). Secondary metabolites from Scorzonera undulata ssp. deliciosa (Guss.) Maire (Asteracae) and their antioxidant activities. Records of Natural Products,2010,4(3),171-175. [View]
Feleke S, Brehane A. (2005). Triterpene compounds from the latex of Ficus sur I.. Bulletin of the Chemical Society of Ethiopia,2005,19(2),307-310. [View] [PubMed]
Mahmoud Z, El-Masry S, et al. (1983). Two eudesmanolides from Sonchus macrocarpus. Phytochemistry,1983,22(5),1290-1291. [View]