(10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C27H16O8 — CID 97423817

IUPAC(10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1C[C@H](c2coc3ccccc3c2=O)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1
InChIInChI=1S/C27H16O8/c28-17-11-19(13-6-2-1-3-7-13)34-26-21-15(10-20(29)35-27(21)25(32)24(31)22(17)26)16-12-33-18-9-5-4-8-14(18)23(16)30/h1-9,11-12,15,31-32H,10H2/t15-/m1/s1
InChIKeyFAGYRKURRITTCW-OAHLLOKOSA-N
MW468.42 g/mol
LogP4.42
Rot. Bonds2

About (10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97423817) has the molecular formula C27H16O8 and a molecular weight of 468.42 g/mol. Its IUPAC name is (10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID97423817
Molecular FormulaC27H16O8
Molecular Weight468.42 g/mol
Exact Mass468.08
IUPAC Name(10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1C[C@H](c2coc3ccccc3c2=O)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1
InChIInChI=1S/C27H16O8/c28-17-11-19(13-6-2-1-3-7-13)34-26-21-15(10-20(29)35-27(21)25(32)24(31)22(17)26)16-12-33-18-9-5-4-8-14(18)23(16)30/h1-9,11-12,15,31-32H,10H2/t15-/m1/s1
InChIKeyFAGYRKURRITTCW-OAHLLOKOSA-N
XLogP4.42
TPSA127.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(10S)-5,6-dihydroxy-2-phenyl-10-(2,3,4-trifluorophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97426239
(10S)-5,6-dihydroxy-2-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423998
(10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424594
5,6-dihydroxy-2-phenyl-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71826018
5,6-dihydroxy-10-(4-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827157
(10R)-10-(1,3-benzodioxol-5-yl)-5,6-dihydroxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97425128
5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827308
methyl 2-[2-[(10R)-5,6-dihydroxy-4,8-dioxo-2-phenyl-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetate
CID 97425235
(10R)-5,6-dihydroxy-10-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 98885051
(10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124879681
6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one
CID 91637202
5,6-dihydroxy-10-[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71826725

Frequently Asked Questions

What is the IUPAC name of (10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97423817) is (10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is O=C1C[C@H](c2coc3ccccc3c2=O)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1.
What is the InChIKey of (10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is FAGYRKURRITTCW-OAHLLOKOSA-N. The full InChI is InChI=1S/C27H16O8/c28-17-11-19(13-6-2-1-3-7-13)34-26-21-15(10-20(29)35-27(21)25(32)24(31)22(17)26)16-12-33-18-9-5-4-8-14(18)23(16)30/h1-9,11-12,15,31-32H,10H2/t15-/m1/s1.
What are the key properties of (10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 468.42 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97423817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).