pancratistatin

AlkaPlorer ID: AK325459

Synonym: None

IUPAC Name: (1R,2S,3R,4R,4aS,11bR)-1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one

Structure

SMILES: OC1=N[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2C2=CC3=C(OCO3)C(O)=C12

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InChI: InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7+,8-,10-,11+,12-/m1/s1

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InChIKey: VREZDOWOLGNDPW-HPORCNTFSA-N

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Reference

PubChem CID: 6713165

NPASS: NPC96077

Properties Information

Molecule Weight: 325.2730000000001

TPSA: 152.20000000000002

MolLogP: -1.6515000000000002

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information