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Bassianolide

AlkaPlorer ID: AK044012

Synonym: None

IUPAC Name: (3S,6R,9S,12R,15S,18R,21S,24R)-4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,12,18,24-tetra(propan-2-yl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone

Structure

SMILES: CC(C)C[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C

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InChI: InChI=1S/C48H84N4O12/c1-25(2)21-33-45(57)61-38(30(11)12)42(54)50(18)35(23-27(5)6)47(59)63-40(32(15)16)44(56)52(20)36(24-28(7)8)48(60)64-39(31(13)14)43(55)51(19)34(22-26(3)4)46(58)62-37(29(9)10)41(53)49(33)17/h25-40H,21-24H2,1-20H3/t33-,34-,35-,36-,37+,38+,39+,40+/m0/s1

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InChIKey: QVZZPLDJERFENQ-NKTUOASPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Bassiana Scincidae Squamata Lepidosauria Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 909.216

TPSA？: 186.44000000000003

MolLogP？: 5.763600000000011

Number of H-Donors: 0

Number of H-Acceptors: 12

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005729 CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)[C@@H](O)C(=O)O.CC(C)[C@@H](O)C(=O)O.CC(C)[C@@H](O)C(=O)O.CC(C)[C@@H](O)C(=O)O.C[SAH].C[SAH].C[SAH].C[SAH]>>CC(C)C[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C 62272