Molecule

TAN-1813

AlkaPlorer ID: AK035993

Synonym: None

IUPAC Name: (2R,4S,6R,8aR)-8a-hydroxy-4,6-dimethyl-5-[4-[(3S)-oct-1-en-3-yl]-2,5-dioxopyrrole-3-carbonyl]-2,3,4,4a,5,6-hexahydro-1H-naphthalene-2-carboxylic acid

Structure

SMILES: C=C[C@H](CCCCC)C1=C(C(=O)C2C3[C@@H](C)C[C@@H](C(=O)O)C[C@@]3(O)C=C[C@H]2C)C(=O)N=C1O

InChI: InChI=1S/C26H35NO6/c1-5-7-8-9-16(6-2)19-20(24(30)27-23(19)29)22(28)18-14(3)10-11-26(33)13-17(25(31)32)12-15(4)21(18)26/h6,10-11,14-18,21,33H,2,5,7-9,12-13H2,1,3-4H3,(H,31,32)(H,27,29,30)/t14-,15+,16-,17-,18?,21?,26+/m1/s1

InChIKey: DLAQLPWTEPAWGC-OZDNBXTOSA-N

Reference

TAN-1813, a Novel Ras-Farnesyltransferase Inhibitor Produced by Phoma sp. Taxonomy, Fermentation, Isolation and Biological Activities In Vitro and In Vivo.

PubChem CID: 101079053

LOTUS: LTS0014339

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NPAtlas: NPA018037

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Phoma sp.	Phoma	Didymellaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 457.5670000000002

TPSA？: 124.26000000000002

MolLogP？: 4.031400000000002

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi