2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one

C18H14O7 — CID 163064083

IUPAC2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one
SMILESCOC12CCOC1Oc1cc3oc4cccc(O)c4c(=O)c3c(O)c12
InChIInChI=1S/C18H14O7/c1-22-18-5-6-23-17(18)25-11-7-10-13(16(21)14(11)18)15(20)12-8(19)3-2-4-9(12)24-10/h2-4,7,17,19,21H,5-6H2,1H3
InChIKeyCGLZIQOPCPNPAV-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.34
Rot. Bonds1

About 2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one

2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one (PubChem CID 163064083) has the molecular formula C18H14O7 and a molecular weight of 342.30 g/mol. Its IUPAC name is 2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one.

Molecular Properties

Compound Name2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one
PubChem CID163064083
Molecular FormulaC18H14O7
Molecular Weight342.30 g/mol
Exact Mass342.07
IUPAC Name2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one
SMILESCOC12CCOC1Oc1cc3oc4cccc(O)c4c(=O)c3c(O)c12
InChIInChI=1S/C18H14O7/c1-22-18-5-6-23-17(18)25-11-7-10-13(16(21)14(11)18)15(20)12-8(19)3-2-4-9(12)24-10/h2-4,7,17,19,21H,5-6H2,1H3
InChIKeyCGLZIQOPCPNPAV-UHFFFAOYSA-N
XLogP2.34
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,8R)-2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
CID 66575592
(4S)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
CID 46842221
11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14,16,18-hexaen-13-one
CID 5486528
(1R,17R)-3-hydroxy-7-methoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaen-5-one
CID 25058088
(4R)-2,4,18-trihydroxy-15-(3-methylbut-2-enyl)-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
CID 20833037
3-ethyl-1,8-dihydroxyxanthen-9-one
CID 164763934
methyl 3,8-dihydroxy-2-methoxy-9-oxoxanthene-1-carboxylate
CID 170989946
1-hydroxy-6-methylxanthen-9-one
CID 13031893
1,8-dihydroxy-3-(3-hydroxybutoxy)xanthen-9-one
CID 86054399
1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one
CID 139291584
(2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one
CID 162883275

Frequently Asked Questions

What is the IUPAC name of 2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one?
The IUPAC name of 2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one (CID 163064083) is 2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one.
What is the SMILES notation for 2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one?
The canonical SMILES for 2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one is COC12CCOC1Oc1cc3oc4cccc(O)c4c(=O)c3c(O)c12.
What is the InChIKey of 2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one?
The InChIKey is CGLZIQOPCPNPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O7/c1-22-18-5-6-23-17(18)25-11-7-10-13(16(21)14(11)18)15(20)12-8(19)3-2-4-9(12)24-10/h2-4,7,17,19,21H,5-6H2,1H3.
What are the key properties of 2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one?
2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one has a molecular weight of 342.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one is sourced from PubChem (CID 163064083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).