Guianensine

AlkaPlorer ID: AK299768

Synonym: None

IUPAC Name: 2-[10-(3-ethyl-8-methoxyindolo[2,3-a]quinolizin-2-yl)-11-hydroxy-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,9-tetraen-14-ylidene]acetic acid

Structure

SMILES: CCC1=CN2C=CC3=C4C(OC)=CC=CC4=NC3=C2C=C1C1=CN2C3=C(C=CC=C3)C34CCN5CC(=CC(=O)O)C(CC53)C(C1O)C24

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InChI: InChI=1S/C39H36N4O4/c1-3-21-18-41-13-11-23-34-28(8-6-10-31(34)47-2)40-36(23)30(41)16-24(21)26-20-43-29-9-5-4-7-27(29)39-12-14-42-19-22(15-33(44)45)25(17-32(39)42)35(37(26)46)38(39)43/h4-11,13,15-16,18,20,25,32,35,37-38,46H,3,12,14,17,19H2,1-2H3,(H,44,45)

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InChIKey: BAOFYTRCQGOFJD-UHFFFAOYSA-N

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Reference

PubChem CID: 163192371

CAS: 171828-69-6

Source

Properties Information

Molecule Weight: 624.7410000000003

TPSA: 90.54

MolLogP: 5.740300000000008

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information