Phytochemical: Apetaline A

Connections displayed (default: 10).

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Compound Synonyms	Apetaline A, CHEBI:69161, CHEMBL1927945
Topological Polar Surface Area	149.0
Hydrogen Bond Donor Count	4.0
Inchi Key	FADRDHDLIJSOGO-NVGWCTLGSA-N
Rotatable Bond Count	6.0
Heavy Atom Count	41.0
Compound Name	Apetaline A
Exact Mass	561.259
Formal Charge	0.0
Monoisotopic Mass	561.259
Isotope Atom Count	0.0
Molecular Complexity	1010.0
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	561.6
Database Name	npass_chem_all;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	4.0
Iupac Name	(2Z)-N-[(2S)-1-[(3S,7S,10S,13Z)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyiminopropanamide
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	2.0
Inchi	InChI=1S/C30H35N5O6/c1-18(2)25(33-27(36)19(3)34-40)30(39)35-16-14-24-26(35)29(38)32-23(17-21-7-5-4-6-8-21)28(37)31-15-13-20-9-11-22(41-24)12-10-20/h4-13,15,18,23-26,40H,14,16-17H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)/b15-13-,34-19-/t23-,24-,25-,26-/m0/s1
Smiles	CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C(=O)N[C@H](C(=O)N/C=C\C3=CC=C(O2)C=C3)CC4=CC=CC=C4)NC(=O)/C(=N\O)/C
Xlogp	3.8
Defined Bond Stereocenter Count	2.0
Molecular Formula	C30H35N5O6

1. Outgoing r'ship FOUND_IN to/from Maerua Apetala (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Sonneratia Apetala (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Ziziphus Glabrata (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Ziziphus Jujuba (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Ziziphus Mauritiana (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Ziziphus Nummularia (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Ziziphus Oenoplia (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Ziziphus Oenopolia (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Ziziphus Rugosa (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Ziziphus Sativa (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Ziziphus Xylopyrus (Plant) Rel Props:Reference:

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