Lydicamycin

AlkaPlorer ID: AK023615

Synonym: None

IUPAC Name: 2-[(4E,8E,12E,16E)-21-[(1R,2R,4aR,5S,6R,8aR)-1-[(2,4-dioxopyrrolidin-3-ylidene)-hydroxymethyl]-5,6-dihydroxy-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-2,6,10,14,18-pentahydroxy-5,11,17,19-tetramethylhenicosa-4,8,12,16-tetraenyl]pyrrolidine-1-carboximidamide

Structure

SMILES: CC1=C[C@H]2[C@H](O)[C@H](O)CC[C@H]2[C@@](C)(C(O)=C2C(=O)CN=C2O)[C@@H]1CCC(C)C(O)/C(C)=C/CC(O)/C=C/C(C)C(O)/C=C/CC(O)/C(C)=C/CC(O)CC1CCCN1C(=N)N

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InChI: InChI=1S/C47H74N4O10/c1-26(37(54)10-7-11-38(55)27(2)13-18-33(53)24-31-9-8-22-51(31)46(48)49)12-16-32(52)17-14-28(3)42(58)29(4)15-19-35-30(5)23-34-36(20-21-39(56)43(34)59)47(35,6)44(60)41-40(57)25-50-45(41)61/h7,10,12-14,16,23,26,29,31-39,42-43,52-56,58-60H,8-9,11,15,17-22,24-25H2,1-6H3,(H3,48,49)(H,50,61)/b10-7+,16-12+,27-13+,28-14+,44-41?/t26?,29?,31?,32?,33?,34-,35-,36-,37?,38?,39-,42?,43+,47+/m1/s1

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InChIKey: HNSRCWWMQWCNGW-FRZGMMNISA-N

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Source

Properties Information

Molecule Weight: 855.1269999999998

TPSA: 264.61

MolLogP: 4.448270000000004

Number of H-Donors: 11

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information