Chartarlactam N

AlkaPlorer ID: AK002239

Synonym: None

IUPAC Name: (3R,4aS,7S,8R,8aS)-3,4'-dihydroxy-7'-(2-hydroxyethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-6'-one

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(CCO)CC3=C1O2

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InChI: InChI=1S/C25H35NO5/c1-14-5-6-19-23(2,3)20(29)7-8-24(19,4)25(14)12-16-18(28)11-15-17(21(16)31-25)13-26(9-10-27)22(15)30/h11,14,19-20,27-29H,5-10,12-13H2,1-4H3/t14-,19-,20+,24-,25+/m0/s1

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InChIKey: ZHECNBLIOXZXBL-FVFQVNOOSA-N

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Source

Properties Information

Molecule Weight: 429.5570000000002

TPSA: 90.23

MolLogP: 3.247300000000002

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens HepG2 Activity None None 10.1021/np400824u

Metabolism Information