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Ursolic acid

Canonical Smiles	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O
InChI	InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
InChIKey	WCGUUGGRBIKTOS-GPOJBZKASA-N
Formula	C₃₀H₄₈O₃
HBA	2
HBD	2
MW	456.71
Rotatable Bonds	1
TPSA	57.53
LogP	7.09
Number Rings	5
Number Aromatic Rings	0
Heavy Atom Count	33
Formal Charge	0
Fraction CSP3	0.9
Exact Mass	456.36
Number of Lipinski Rule Violations	1

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Dipsacus laciniatus	Dipsacaceae	Plantae	398307
2	Lavandula multifida	Lamiaceae	Plantae	260634
3	Melaleuca ericifolia	Myrtaceae	Plantae	73757
4	Spathodea campanulata	Bignoniaceae	Plantae	211926
5	Escinops ellenbeckii	Asteraceae	Plantae	—
6	Leucas aspera	Lamiaceae	Plantae	483811

Showing of synonyms

Hymete A, Rohloff J, et al. (2005). Acetylenic thiophenes from the roots of Escinops ellenbeckii from Ethiopia. Natural Product Research,2005,19(8),755-761. [View] [PubMed]
Abdel Bar FM, Zaghloul AM, et al. (2008). Antiproliferative triterpenes from Melaleuca ericifolia. Journal of Natural Products,2008,71(10),1787-1790. [View] [PubMed]
Ele S, G/Yesus T, et al. (2007). Chemical studies of Leucas martinicensis. M.Sc. Thesis, Addis Ababa University, Ethiopia,2007. [View] [PubMed]
Sosa S, Altinier G, et al. (2005). Extracts and constituents of Lavandula multifida with topical anti-inflammatory activity. Phytomedicine : international journal of phytotherapy and phytopharmacology, 2005, 12(4), 271-7. [View] [PubMed]
Niyonzima G, Laekeman G, et al. (1999). Hypoglycemic, anticomplement and anti-HIV activities of Spathodea campanulata stem bark. Phytomedicine,1999,6(1),45-49. [View] [PubMed]
Abdallah OM (1991). Phenolic glucoside and other constituents of Dipsacus laciniatus. Phytochemistry,1991,30(8),2805-2806. [View]