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Bis-cephalezomine A

AlkaPlorer ID: AK015865

Synonym: 'Biscephalezomine A', 'Bis-cephalezomine A'

IUPAC Name: 1-O-[(2S,3S,6R,9S)-9-[(2S,3S,6R,8S)-3-[(2R)-2,5-dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]oxy-4-methoxy-9-oxo-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-8-yl]-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate

Structure

SMILES: COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23C[C@@H]([C@@H]4CC[C@]56C=C(OC)[C@@H](OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)OC)[C@H]5C5=CC7=C(C=C5CCN46)OCO7)C(=O)N2CCC2=CC4=C(C=C2[C@H]13)OCO4

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InChI: InChI=1S/C57H72N2O19/c1-52(2,65)13-9-14-56(67,27-43(60)71-7)50(63)77-47-41(69-5)25-54-15-10-36(58(54)18-11-31-20-37-39(75-29-73-37)22-33(31)45(47)54)35-24-55-26-42(70-6)48(78-51(64)57(68,28-44(61)72-8)17-16-53(3,4)66)46(55)34-23-40-38(74-30-76-40)21-32(34)12-19-59(55)49(35)62/h20-23,25-26,35-36,45-48,65-68H,9-19,24,27-30H2,1-8H3/t35-,36-,45+,46+,47+,48+,54-,55-,56+,57+/m0/s1

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InChIKey: VHNHMAJJJNEADY-AWPMISIBSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Cephalotaxus harringtonia Cephalotaxus Taxaceae Cupressales Pinopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 1089.1979999999996

TPSA？: 265.04999999999995

MolLogP？: 3.906200000000004

Number of H-Donors: 4

Number of H-Acceptors: 20

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information