Molecule

12,16,24-Trihydroxy-17-scalarene-25,24-lactam; (12β,16α,24α)-form, 16-Me ether, 12-Ac

AlkaPlorer ID: AK316665

Synonym: Petrosaspongiolactam C

IUPAC Name: (3-hydroxy-4-methoxy-5b,8,8,11a,13a-pentamethyl-1-oxo-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13-tetradecahydrophenanthro[2,1-e]isoindol-13-yl) acetate

Structure

SMILES: COC1CC2C3(C)CCC4C(C)(C)CCCC4(C)C3CC(OC(C)=O)C2(C)C2=C1C(O)NC2=O

InChI: InChI=1S/C28H43NO5/c1-15(30)34-20-14-18-26(4)11-8-10-25(2,3)17(26)9-12-27(18,5)19-13-16(33-7)21-22(28(19,20)6)24(32)29-23(21)31/h16-20,23,31H,8-14H2,1-7H3,(H,29,32)

InChIKey: YBRYMRYKSGHURW-UHFFFAOYSA-N

Reference

Possible evolutionary relationships between streptomycin and bluensomycin biosynthetic pathways: detection of novel inositol kinase and O-carbamoyltransferase activities

PubChem CID: 163115634

COCONUT: CNP0436034.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Petrosaspongia	Thorectidae	Dictyoceratida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 473.6540000000002

TPSA？: 84.86000000000001

MolLogP？: 4.3567000000000045

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi