Molecule

Ambewelamide B

AlkaPlorer ID: AK034303

Synonym: None

IUPAC Name: [(1R,4S,5R,7S,8S,12R,15S,16R,18S,19S)-19-acetyloxy-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.01,14.03,12.04,10.05,7.015,21.016,18]tetracosa-9,20-dien-8-yl] hexanoate

Structure

SMILES: CCCCCC(=O)O[C@H]1C=C2C[C@@]34SS[C@]5(CC6=C[C@H](OC(C)=O)[C@@H]7O[C@@H]7[C@H]6N5C3=O)C(=O)N4[C@@H]2[C@H]2O[C@H]21

InChI: InChI=1S/C26H28N2O8S2/c1-3-4-5-6-16(30)34-15-8-13-10-26-24(32)27-17-12(7-14(33-11(2)29)19-21(17)35-19)9-25(27,37-38-26)23(31)28(26)18(13)22-20(15)36-22/h7-8,14-15,17-22H,3-6,9-10H2,1-2H3/t14-,15-,17-,18-,19-,20-,21+,22+,25+,26+/m0/s1

InChIKey: RKEDAZXFFYMOPX-KGXXLAPYSA-N

Reference

Ambewelamides A and B, antineoplastic epidithiapiperazinediones isolated from the lichen Usnea sp.

PubChem CID: 25220878

LOTUS: LTS0179316

SuperNatural Ⅲ: SN0327629-01

NPASS: NPC118653

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NPAtlas: NPA001575

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Mentha aquatica	Mentha	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hackelia floribunda	Hackelia	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gentianella austriaca	Gentianella	Gentianaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Beaumontia murtonii	Beaumontia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Spiraea cantoniensis	Spiraea	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Usnea sp.	Usnea	Parmeliaceae	Lecanorales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Garcinia smeathmannii	Garcinia	Clusiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stapelia gigantea	Stapelia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 560.6500000000003

TPSA？: 118.28

MolLogP？: 1.828

Number of H-Donors: 0

Number of H-Acceptors: 10

RingCount: 9

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi