Compound	Crocetin
NPACT-Id	NPACT00443
IUPAC	bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl](2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
Synonyms	8,8'-Diapocarotenedioic acid; trans-Crocetin; 8,8'-Diapocarotene-8,8'-dioic acid; 8,8'-Diapo-psi,psi-carotenedioic acid; 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid; 8,8'-diapo-8,8'-carotenedioic acid
PubChem Id	5281232
Class	Terpenoids
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	MMP14 \| MMP15 \| All \|
Properties	Physical Elemental Topological
InChi Key	PANKHBYNKQNAHN-MQQNZMFNSA-N
InChi	1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+
SMILES	OC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(C)/C(=O)O)C)/C)/C
SMART	[H]OC(=O)C(=C(/[H])C([H])=C(/[H])C(=C(/[H])C([H])=C(/[H])C([H])=C(C([H])=C(/[H])C([H])=C(C(=O)O[H])C([H])([H])[H])/C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CAS No.	27876-94-4
Structure Download
Cross Refrence in other databases
	Super Natural	027876944
	CTD	C010561
	HIT	C0357
	NCI-60 GI₅₀ data	27876-94-4
Suppliers	ABI Chem, R&D Chemicals,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase