Cytochalasin Z6

Names and Identifiers

Synonyms: Cytochalasin Z6 | Cytochalasin Z6|(1S,4E,10R,12E,14S,15S,17R,18S,19S,20S)-20-benzyl-7-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione|CHEMBL467210|CHEBI:204241

Canonical SMILES: C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)/C=C/CC(O)CC1

Standard InChI: InChI=1S/C29H37NO5/c1-18-9-7-13-22-26-28(3,35-26)19(2)25-23(17-20-10-5-4-6-11-20)30-27(33)29(22,25)34-24(32)14-8-12-21(31)16-15-18/h4-8,10-11,13-14,18-19,21-23,25-26,31H,9,12,15-17H2,1-3H3,(H,30,33)/b13-7+,14-8+/t18-,19-,21?,22-,23-,25-,26-,28+,29+/m0/s1

Standard InChI Key: MDJGLFFJLUGHOF-KWYMRMFBSA-N

Molfile:

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M  END

Alternative Forms

Parent:

ALA467210
CYTOCHALASIN Z6

Associated Targets(non-human)

Solanum lycopersicum (493 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Artemia (698 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Molecule Features

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Drug Indications

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Calculated Properties

Molecular Weight: 479.62	Molecular Weight (Monoisotopic): 479.2672	AlogP: 3.73	#Rotatable Bonds: 2
Polar Surface Area: 88.16	Molecular Species: NEUTRAL	HBA: 5	HBD: 2
#RO5 Violations: ┄	HBA (Lipinski): 6	HBD (Lipinski): 2	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 13.13	CX Basic pKa: ┄	CX LogP: 4.28	CX LogD: 4.28
Aromatic Rings: 1	Heavy Atoms: 35	QED Weighted: 0.38	Np Likeness Score: 2.78

References

1. Evidente A, Andolfi A, Vurro M, Zonno MC, Motta A.. (2003) Cytochalasins Z4, Z5, and Z6, three new 24-Oxa[14]cytochalasans produced by Phoma exigua var. heteromorpha., 66 (12): [PMID:14695792] [10.1021/np030252o]

Source

Source(1):

Scientific Literature