Sarcodonin; 5',6'-Quinone, N11-O-Me, tri-O-de-Ac 

AlkaPlorer ID: AK312944

Synonym: Hydnellin B

IUPAC Name: 2-[3,11a-di(butan-2-yl)-4-hydroxy-2-methoxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-3,6-dihydroxy-5-(4-hydroxyphenyl)cyclohexa-2,5-diene-1,4-dione

Structure

SMILES: CCC(C)C1=C(O)[N+]2([O-])OC3=CC=C(C4=C(O)C(O)=C(C5=CC=C(O)C=C5)C(=O)C4=O)C=C3OC2(C(C)CC)C(=O)N1OC

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InChI: InChI=1S/C31H32N2O11/c1-6-15(3)24-29(39)33(41)31(16(4)7-2,30(40)32(24)42-5)43-21-14-18(10-13-20(21)44-33)23-27(37)25(35)22(26(36)28(23)38)17-8-11-19(34)12-9-17/h8-16,34-35,37,39H,6-7H2,1-5H3

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InChIKey: YZZWVIPXGCWZCK-UHFFFAOYSA-N

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Reference

CAS: 910099-74-0

Source

Properties Information

Molecule Weight: 608.6000000000001

TPSA: 186.12

MolLogP: 4.702400000000003

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information