Molecule

Amauromine

AlkaPlorer ID: AK018784

Synonym: None

IUPAC Name: (1S,4S,12R,14S,17S,25R)-12,25-bis(2-methylbut-3-en-2-yl)-3,5,16,18-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-6,8,10,19,21,23-hexaene-2,15-dione

Structure

SMILES: C=CC(C)(C)[C@@]12C[C@H]3C(=O)N4[C@@H](C[C@@]5(C(C)(C)C=C)C6=CC=CC=C6N[C@@H]45)C(=O)N3[C@@H]1NC1=CC=CC=C12

InChI: InChI=1S/C32H36N4O2/c1-7-29(3,4)31-17-23-25(37)36-24(26(38)35(23)27(31)33-21-15-11-9-13-19(21)31)18-32(30(5,6)8-2)20-14-10-12-16-22(20)34-28(32)36/h7-16,23-24,27-28,33-34H,1-2,17-18H2,3-6H3/t23-,24-,27-,28-,31+,32+/m0/s1

InChIKey: VKEAHNPKYMHYJJ-CBYNOBLXSA-N

Reference

Amauromine, a new vasodilator Taxonomy, isolation and characterization.

PubChem CID: 10369017

LOTUS: LTS0123674

SuperNatural Ⅲ: SN0392482-03

NPASS: NPC276085

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NPAtlas: NPA015529

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cryptochiton stelleri	Cryptochiton	Mopaliidae	Chitonida	Polyplacophora	Mollusca	Metazoa	Eukaryota
Poa annua	Poa	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Astrosclera willeyana	Astrosclera	Astroscleridae	Agelasida	Demospongiae	Porifera	Metazoa	Eukaryota
Amauroascus sp.	Amauroascus	Onygenaceae	Onygenales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Leucas urticifolia	Leucas	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 508.66600000000017

TPSA？: 64.68

MolLogP？: 5.005400000000004

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Cannabinoid CB1 receptor	Activity	nan	None	10.1021/ml200183z
Homo sapiens	Cannabinoid CB1 receptor	Kb	66.6	nM	10.1021/ml200183z
Homo sapiens	Cannabinoid CB1 receptor	Ki	178.0	nM	10.1021/ml200183z
Homo sapiens	Cannabinoid CB2 receptor	Activity	nan	None	10.1021/ml200183z