Molecule

6-[(1R)-1-[(3aR,8aS)-6-bromo-1-methyl-2H,3H,8H,8aH-pyrrolo[2,3-b]indol-3a-yl]propyl]-2-imino-1,3-dimethylpteridin-4-one

AlkaPlorer ID: AK184830

Synonym: None

IUPAC Name: 6-[(1R)-1-[(3aS,8bR)-6-bromo-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]propyl]-2-imino-1,3-dimethylpteridin-4-one

Structure

SMILES: CC[C@@H](C1=CN=C2C(=N1)C(=O)N(C)C(=N)N2C)[C@@]12CCN(C)[C@@H]1NC1=CC(Br)=CC=C12

InChI: InChI=1S/C22H26BrN7O/c1-5-13(16-11-25-18-17(26-16)19(31)30(4)21(24)29(18)3)22-8-9-28(2)20(22)27-15-10-12(23)6-7-14(15)22/h6-7,10-11,13,20,24,27H,5,8-9H2,1-4H3/t13-,20-,22+/m0/s1

InChIKey: OAMCMYOSSAKFJX-DLQQFWPKSA-N

Reference

Urochordamines A and B: Larval settlement/metamorphosis-promoting, pteridine-containing physostigmine alkaloids from the tunicate Ciona savignyi

PubChem CID: 10323058

LOTUS: LTS0265316

SuperNatural Ⅲ: SN0260160-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ciona savignyi	Ciona	Cionidae	Phlebobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 484.40200000000016

TPSA？: 91.83

MolLogP？: 2.427670000000001

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi