Molecule

Spirodihydrobenzofuranlactam IV

AlkaPlorer ID: AK002199

Synonym: '', 'Spirodihydrobenzofuranlactam IV. K-76-1', 'Not named'

IUPAC Name: (2S)-2-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]pentanedioic acid

Structure

SMILES: C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12CC1=C(O)C=C3C(=O)N([C@@H](CCC(=O)O)C(=O)O)CC3=C1O2

InChI: InChI=1S/C28H37NO8/c1-14-5-7-20-26(2,3)21(31)9-10-27(20,4)28(14)12-16-19(30)11-15-17(23(16)37-28)13-29(24(15)34)18(25(35)36)6-8-22(32)33/h11,14,18,20-21,30-31H,5-10,12-13H2,1-4H3,(H,32,33)(H,35,36)/t14-,18+,20+,21-,27+,28-/m1/s1

InChIKey: QZGOQORSUIQVIR-ANCPPULHSA-N

Reference

Novel sesquiterpenoids as tyrosine kinase inhibitors produced by Stachybotrys chortarum

PubChem CID: 38346179

LOTUS: LTS0190161

SuperNatural Ⅲ: SN0319198-17

NPASS: NPC128990

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NPAtlas: NPA007055

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Stachybotrys	Stachybotryaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 515.6030000000003

TPSA？: 144.6

MolLogP？: 3.5730000000000013

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	HEK-293T	Activity	None	None	10.1021/np400683h