(6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione

C15H10O7 — CID 162812240

IUPAC(6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione
SMILESO=C1C[C@@H]2Oc3c(c(=O)oc4cc(O)cc(O)c34)[C@H]2C=C1O
InChIInChI=1S/C15H10O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-3,6,10,16-17,19H,4H2/t6-,10-/m0/s1
InChIKeyUZXMPUBFBQEDBG-WKEGUHRASA-N
MW302.24 g/mol
LogP1.46
Rot. Bonds

About (6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione

(6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione (PubChem CID 162812240) has the molecular formula C15H10O7 and a molecular weight of 302.24 g/mol. Its IUPAC name is (6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione.

Molecular Properties

Compound Name(6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione
PubChem CID162812240
Molecular FormulaC15H10O7
Molecular Weight302.24 g/mol
Exact Mass302.04
IUPAC Name(6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione
SMILESO=C1C[C@@H]2Oc3c(c(=O)oc4cc(O)cc(O)c34)[C@H]2C=C1O
InChIInChI=1S/C15H10O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-3,6,10,16-17,19H,4H2/t6-,10-/m0/s1
InChIKeyUZXMPUBFBQEDBG-WKEGUHRASA-N
XLogP1.46
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
CID 54683163
1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 23500354
7,9-dihydroxy-3-methylbenzo[c]chromen-6-one
CID 167630896
4-cyclohexyl-5,7-dihydroxychromen-2-one
CID 87573442
2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one
CID 175527129
6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
CID 175943536
3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one
CID 89072166
4-(chloromethyl)-5,7-dihydroxychromen-2-one
CID 11379152
6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one
CID 11252923
1,3-dihydroxyxanthen-9-one
CID 5488193
2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one
CID 89353439
2,7,9-trihydroxy-3-methoxy-1-methylbenzo[c]chromen-6-one
CID 171060646

Frequently Asked Questions

What is the IUPAC name of (6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione?
The IUPAC name of (6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione (CID 162812240) is (6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione.
What is the SMILES notation for (6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione?
The canonical SMILES for (6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione is O=C1C[C@@H]2Oc3c(c(=O)oc4cc(O)cc(O)c34)[C@H]2C=C1O.
What is the InChIKey of (6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione?
The InChIKey is UZXMPUBFBQEDBG-WKEGUHRASA-N. The full InChI is InChI=1S/C15H10O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-3,6,10,16-17,19H,4H2/t6-,10-/m0/s1.
What are the key properties of (6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione?
(6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione has a molecular weight of 302.24 g/mol, XLogP of 1.46, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6bR,10aS)-1,3,8-trihydroxy-10,10a-dihydro-6bH-[1]benzofuro[3,2-c]chromene-6,9-dione is sourced from PubChem (CID 162812240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).