Molecule

18-Hydroxycamptothecin

AlkaPlorer ID: AK004925

Synonym: None

IUPAC Name: (19S)-19-hydroxy-19-(2-hydroxyethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

Structure

SMILES: C1C2=CC3=CC=CC=C3N=C2C4=CC5=C(COC(=O)[C@@]5(CCO)O)C(=O)N41

InChI: InChI=1S/C20H16N2O5/c23-6-5-20(26)14-8-16-17-12(7-11-3-1-2-4-15(11)21-17)9-22(16)18(24)13(14)10-27-19(20)25/h1-4,7-8,23,26H,5-6,9-10H2/t20-/m0/s1

InChIKey: CCBXXGSAGQNXHX-FQEVSTJZSA-N

Reference

Biosynthesis-inspired mining and identification of untapped alkaloids in Camptotheca acuminate for enzyme discovery using ultra-high performance liquid chromatography coupled with quadrupole-time of flight-mass spectrometry

PubChem CID: 159549

CAS: 116139-46-9

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Camptotheca acuminata	Camptotheca	Nyssaceae	Cornales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 364.3570000000001

TPSA？: 101.65

MolLogP？: 1.0519999999999996

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi