(1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione

C13H10O7 — CID 177453686

IUPAC(1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione
SMILESCOc1cc(O)c2c(c1)C(=O)[C@@]13CO[C@@H](O)[C@@]1(O3)C2=O
InChIInChI=1S/C13H10O7/c1-18-5-2-6-8(7(14)3-5)10(16)13-11(17)19-4-12(13,20-13)9(6)15/h2-3,11,14,17H,4H2,1H3/t11-,12+,13+/m1/s1
InChIKeyZCLXGOCMYIAPIN-AGIUHOORSA-N
MW278.22 g/mol
LogP-0.36
Rot. Bonds1

About (1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione

(1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione (PubChem CID 177453686) has the molecular formula C13H10O7 and a molecular weight of 278.22 g/mol. Its IUPAC name is (1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione.

Molecular Properties

Compound Name(1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione
PubChem CID177453686
Molecular FormulaC13H10O7
Molecular Weight278.22 g/mol
Exact Mass278.04
IUPAC Name(1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione
SMILESCOc1cc(O)c2c(c1)C(=O)[C@@]13CO[C@@H](O)[C@@]1(O3)C2=O
InChIInChI=1S/C13H10O7/c1-18-5-2-6-8(7(14)3-5)10(16)13-11(17)19-4-12(13,20-13)9(6)15/h2-3,11,14,17H,4H2,1H3/t11-,12+,13+/m1/s1
InChIKeyZCLXGOCMYIAPIN-AGIUHOORSA-N
XLogP-0.36
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione with MolForge

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Related Compounds

(1S,10R,12S,13S,14R)-4,12,13,14-tetrahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-2,9-dione
CID 101342817
(10S,11S,12R,13R,14R)-4,11,12,13,14-pentahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-2,9-dione
CID 162932372
(11R,12S,13S,14S)-4,11,12,13,14-pentahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-2,9-dione
CID 139585152
2-(7-hydroxy-5-methoxy-2,9-dioxo-11-propyl-12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-13-yl)acetamide
CID 162897373
(1R,2S,3S,4aR,9aS)-1,2,3,4a,8,9a-hexahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
CID 101342818
3,4,8-trihydroxy-6-methoxynaphthalene-1,2-dione
CID 137321737
8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione
CID 70686001
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163062623
(3S,4S)-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
CID 93061334
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788463
(1S,2R,3S,4S)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
CID 57380811
3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one
CID 151487704

Frequently Asked Questions

What is the IUPAC name of (1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione?
The IUPAC name of (1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione (CID 177453686) is (1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione.
What is the SMILES notation for (1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione?
The canonical SMILES for (1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione is COc1cc(O)c2c(c1)C(=O)[C@@]13CO[C@@H](O)[C@@]1(O3)C2=O.
What is the InChIKey of (1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione?
The InChIKey is ZCLXGOCMYIAPIN-AGIUHOORSA-N. The full InChI is InChI=1S/C13H10O7/c1-18-5-2-6-8(7(14)3-5)10(16)13-11(17)19-4-12(13,20-13)9(6)15/h2-3,11,14,17H,4H2,1H3/t11-,12+,13+/m1/s1.
What are the key properties of (1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione?
(1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione has a molecular weight of 278.22 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R,13R)-4,13-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-triene-2,9-dione is sourced from PubChem (CID 177453686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).