Molecule

Scutianine D; 7'-Deoxy

AlkaPlorer ID: AK313155

Synonym: Scutianine B

IUPAC Name: N-(7-benzyl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl)-2-(dimethylamino)-3-phenylpropanamide

Structure

SMILES: CC(C)C1OC2=CC=C(C=CN=C(O)C(CC3=CC=CC=C3)N=C(O)C1N=C(O)C(CC1=CC=CC=C1)N(C)C)C=C2

InChI: InChI=1S/C34H40N4O4/c1-23(2)31-30(37-33(40)29(38(3)4)22-26-13-9-6-10-14-26)34(41)36-28(21-25-11-7-5-8-12-25)32(39)35-20-19-24-15-17-27(42-31)18-16-24/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)

InChIKey: PEINZJYANJZEKK-UHFFFAOYSA-N

Reference

Antibacterial cyclopeptide alkaloids from the bark of Condalia buxifolia

PubChem CID: 71437222

CAS: 35467-41-5

LOTUS: LTS0022388

COCONUT: CNP0290605.6

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Melochia tomentosa	Melochia	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Discaria	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Scutia buxifolia	Scutia	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Waltheria	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Condalia	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 568.7180000000001

TPSA？: 110.24

MolLogP？: 6.096600000000006

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi