Compound	candidin
NPACT-Id	NPACT01157
IUPAC	-
Synonyms	8,9-Dideoxy-10-hydroxy-7-oxoamphotericin B;Amphotericin B, 8,9-dideoxy-10-hydroxy-7-oxo-;(4E,6E,8E,10E,12E,14E,16E)-3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-19,25,27,32,33,35,37-heptahydroxy-18,20,21-trimethyl-23,29-dioxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid;1405-90-9
PubChem Id	6433276
Class	Polyketides
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	IBRQTOKMQLIMRF-QVDADOJXSA-N
InChi	1S/C47H71NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-30,32-38,40-44,46,50-54,56-58,61H,19
SMILES	O1C2C(C(O)CC1(O)CC(O)C(O)CCC(=O)CC(O)CC(O)CC(=O)OC(C(C(O)C(C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC1OC(C(O)C(N)C1O)C)C2)C)C)C(=O)O
SMART	[H]OC(=O)[C@@]1([H])[C@]([H])(O[H])C([H])([H])[C@]2(O[H])O[C@]1([H])C([H])([H])[C@]([H])(O[C@@]1([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(N([H])[H])[C@]1([H])O[H])C([H])=C(/[H])C([H])=C(/[H])C([H])=C(/[H])C([H])=C(/[H])C([H])=C(/[H])C([H])=C(/[H])C([H])=C([H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])C2([H])[H])C([H])([H])[H]
CAS No.	1405-90-9
Structure Download
Cross Refrence in other databases
	Super Natural	001405909
	CTD	C010428
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

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