Homophymine A; N2-Deacyl, N2-(3R-hydroxy-2R,4R,6-trimethylheptanoyl), 7'-amide 

AlkaPlorer ID: AK300604

Synonym: Homophymine B1 

IUPAC Name: None

Structure

SMILES: COC(C)C1NC(=O)C(CCC(N)=O)N(C)C(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(O)C(O)C(CCC(N)=O)NC(=O)C(CCCN)NC(=O)C(C)C(O)C(C)CC(C)C)C(C)C(C)C(N)=O)C(C(C)C(C)C)OC(=O)C2CCCCN2C(=O)C(CC(=O)O)NC1=O

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InChI: InChI=1S/C72H126N16O23/c1-33(2)29-36(7)56(94)40(11)61(98)79-43(19-17-26-73)62(99)78-42(22-24-50(75)90)57(95)58(96)69(106)84-53(38(9)39(10)60(77)97)66(103)86-55-59(37(8)35(5)6)111-72(109)49-21-15-16-28-88(49)71(108)46(31-52(92)93)82-67(104)54(41(12)110-14)85-65(102)48(23-25-51(76)91)87(13)70(107)45(30-34(3)4)81-63(100)44(20-18-27-74)80-64(101)47(32-89)83-68(55)105/h33-49,53-59,89,94-96H,15-32,73-74H2,1-14H3,(H2,75,90)(H2,76,91)(H2,77,97)(H,78,99)(H,79,98)(H,80,101)(H,81,100)(H,82,104)(H,83,105)(H,84,106)(H,85,102)(H,86,103)(H,92,93)

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InChIKey: UTIUBXNEISZTRH-UHFFFAOYSA-N

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Reference

CAS: 1193359-06-6

Source

Species Genus Family Order Class Phylum Kingdom Domain
None Homophymia Neopeltidae Tetractinellida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 1583.8889999999994

TPSA: 637.5800000000002

MolLogP: -5.509499999999968

Number of H-Donors: 19

Number of H-Acceptors: 24

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information