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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H36N4O6
Molecular Weight 596.6728
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHYTOCHLORIN

SMILES

CCC1=C(C)C2=NC1=CC3=C(C)C(C(O)=O)=C(N3)C(CC(O)=O)=C4N=C(C=C5NC(=C2)C(C=C)=C5C)[C@@H](C)[C@@H]4CCC(O)=O

InChI

InChIKey=VAJLRIOJDADNAT-HHGNVTQFSA-N
InChI=1S/C34H36N4O6/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23/h7,12-14,17,21,35,38H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-,33-22-/t17-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C34H34N4O6
Molecular Weight 594.657
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

PubMed

Substance Class Chemical
Record UNII
5S2CCF3T1Z
Record Status Validated (UNII)
Record Version