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name Structure Reference Source Properties Activities Metabolism

16-amino-7-hydroxy-9,13-dimethyl-7-(4-methylpentyl)-5-oxapentacyclo[10.8.0.0²,?.0?,?.0¹³,¹?]icosan-6-one

AlkaPlorer ID: AK013674

Synonym: None

IUPAC Name: (1R,2S,4S,7S,8R,9S,12S,13S,16S)-16-amino-7-hydroxy-9,13-dimethyl-7-(4-methylpentyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-one

Structure

SMILES: CC(C)CCC[C@@]1(O)C(=O)O[C@H]2C[C@H]3[C@@H]4CCC5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21

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InChI: InChI=1S/C27H45NO3/c1-16(2)6-5-11-27(30)23-22(31-24(27)29)15-21-19-8-7-17-14-18(28)9-12-25(17,3)20(19)10-13-26(21,23)4/h16-23,30H,5-15,28H2,1-4H3/t17?,18-,19+,20-,21-,22-,23-,25-,26-,27-/m0/s1

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InChIKey: PLLJOGIAOGXLFM-IBODIHDZSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Cliona celata Cliona Clionaidae Clionaida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 431.6610000000003

TPSA？: 72.55

MolLogP？: 5.065300000000004

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information