Basic information
- Standard SMILES
COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C(OC)=CC23CCCN2CCc2cc4c(cc2C13)OCO4- InChIKey
HYFHYPWGAURHIV-UHFFFAOYSA-N- Molecular formula
- C29H39NO9
- Average molar mass
- 545.6 g/mol
- Monoisotopic mass
- 545.26248182
Overview
homoharringtonine has been reported in Cephalotaxus harringtonia with data available.
Names & identifiers
- Preferred name
- Npc319549
- IUPAC
- 1-O-(4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl) 4-O-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
Names & synonyms
RefChem:1093099Npc319549Cephalotaxine, 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), [3(R)]-1-O-(4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl) 4-O-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioateC29H39NO9NSC 141633Homoharringtonine (HHT)Neuro_000075SCHEMBL93487CHEMBL175858DTXSID10860379HYFHYPWGAURHIV-UHFFFAOYSA-N
Show more names
HMS5086B15s9015EBC-102055LS-152694H-Cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepine,cephalotaxine deriv.Cephalotaxine, 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester)Cephalotaxine, 4-methyl-, 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioateO~3~-[2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine
Database identifiers
- PubChem CID
- 3628
- DTXSID
DTXSID10860379- ChEMBL
CHEMBL175858
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 968
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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