Vindolicine

AlkaPlorer ID: AK317703

Synonym: 10,10'-Methylenebisvindoline

IUPAC Name: methyl 11-acetyloxy-4-[(11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-4-yl)methyl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate

Structure

SMILES: CCC12C=CCN3CCC4(C5=CC(CC6=CC7=C(C=C6OC)N(C)C6C(O)(C(=O)OC)C(OC(C)=O)C8(CC)C=CCN9CCC76C98)=C(OC)C=C5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32

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InChI: InChI=1S/C51H64N4O12/c1-11-46-15-13-19-54-21-17-48(38(46)54)32-24-30(36(62-7)26-34(32)52(5)40(48)50(60,44(58)64-9)42(46)66-28(3)56)23-31-25-33-35(27-37(31)63-8)53(6)41-49(33)18-22-55-20-14-16-47(12-2,39(49)55)43(67-29(4)57)51(41,61)45(59)65-10/h13-16,24-27,38-43,60-61H,11-12,17-23H2,1-10H3

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InChIKey: GTYHMLPTHUKXMG-UHFFFAOYSA-N

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Reference

PubChem CID: 159614

CAS: 1362-14-7

COCONUT: CNP0153520.1

Properties Information

Molecule Weight: 925.0889999999998

TPSA: 177.07999999999996

MolLogP: 3.1868000000000034

Number of H-Donors: 2

Number of H-Acceptors: 16

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information