5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

C16H10O8 — CID 163073000

IUPAC5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
SMILESCOc1cc2oc(=O)c3cc(O)c(OC)c4oc(=O)c(c1O)c2c43
InChIInChI=1S/C16H10O8/c1-21-8-4-7-10-9-5(15(19)23-7)3-6(17)13(22-2)14(9)24-16(20)11(10)12(8)18/h3-4,17-18H,1-2H3
InChIKeyLYQKFMPSKZLVMJ-UHFFFAOYSA-N
MW330.25 g/mol
LogP1.92
Rot. Bonds2

About 5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione (PubChem CID 163073000) has the molecular formula C16H10O8 and a molecular weight of 330.25 g/mol. Its IUPAC name is 5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione.

Molecular Properties

Compound Name5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
PubChem CID163073000
Molecular FormulaC16H10O8
Molecular Weight330.25 g/mol
Exact Mass330.04
IUPAC Name5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
SMILESCOc1cc2oc(=O)c3cc(O)c(OC)c4oc(=O)c(c1O)c2c43
InChIInChI=1S/C16H10O8/c1-21-8-4-7-10-9-5(15(19)23-7)3-6(17)13(22-2)14(9)24-16(20)11(10)12(8)18/h3-4,17-18H,1-2H3
InChIKeyLYQKFMPSKZLVMJ-UHFFFAOYSA-N
XLogP1.92
TPSA119.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione 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

13-hydroxy-14-methoxy-3,5,9,16-tetraoxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,11,13,15(19)-hexaene-10,17-dione
CID 162928930
2,7,9-trihydroxy-3-methoxy-1-methylbenzo[c]chromen-6-one
CID 171060646
6,14-dihydroxy-7-methoxy-13-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
CID 22524197
6,14-dihydroxy-7-methoxy-13-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
CID 162932927
methanol;6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
CID 175293628
(14-acetyloxy-6,13-dihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-7-yl) acetate
CID 15006880
6-hydroxy-7,14-dimethoxy-13-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
CID 163032229
3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one
CID 171935993
copper;6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
CID 67661716
6,13-dihydroxy-7-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),9,11,13-heptaen-3-one
CID 11737608
6-hydroxy-7,14-dimethoxy-13-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
CID 91048466
(6,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-7-yl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 123662042

Frequently Asked Questions

What is the IUPAC name of 5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione?
The IUPAC name of 5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione (CID 163073000) is 5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione.
What is the SMILES notation for 5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione?
The canonical SMILES for 5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione is COc1cc2oc(=O)c3cc(O)c(OC)c4oc(=O)c(c1O)c2c43.
What is the InChIKey of 5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione?
The InChIKey is LYQKFMPSKZLVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O8/c1-21-8-4-7-10-9-5(15(19)23-7)3-6(17)13(22-2)14(9)24-16(20)11(10)12(8)18/h3-4,17-18H,1-2H3.
What are the key properties of 5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione?
5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione has a molecular weight of 330.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione is sourced from PubChem (CID 163073000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).