(2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione

C24H24O7 — CID 42506712

IUPAC(2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc([C@@H]2CC(=O)c3c(C)cc4oc(=O)c(C)c(C)c4c3O2)c(OC)c1OC
InChIInChI=1S/C24H24O7/c1-11-9-18-20(12(2)13(3)24(26)31-18)23-19(11)15(25)10-17(30-23)14-7-8-16(27-4)22(29-6)21(14)28-5/h7-9,17H,10H2,1-6H3/t17-/m0/s1
InChIKeyKBDSPVXWTFCPKZ-KRWDZBQOSA-N
MW424.45 g/mol
LogP4.45
Rot. Bonds4

About (2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione

(2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 42506712) has the molecular formula C24H24O7 and a molecular weight of 424.45 g/mol. Its IUPAC name is (2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID42506712
Molecular FormulaC24H24O7
Molecular Weight424.45 g/mol
Exact Mass424.15
IUPAC Name(2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc([C@@H]2CC(=O)c3c(C)cc4oc(=O)c(C)c(C)c4c3O2)c(OC)c1OC
InChIInChI=1S/C24H24O7/c1-11-9-18-20(12(2)13(3)24(26)31-18)23-19(11)15(25)10-17(30-23)14-7-8-16(27-4)22(29-6)21(14)28-5/h7-9,17H,10H2,1-6H3/t17-/m0/s1
InChIKeyKBDSPVXWTFCPKZ-KRWDZBQOSA-N
XLogP4.45
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
CID 42506713
(2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
CID 42506631
(2S)-5-methyl-2-(2,4,5-trimethoxyphenyl)-2,3,9,10,11,12-hexahydroisochromeno[3,4-h]chromene-4,8-dione
CID 42507193
(4R)-8-methyl-4-(3,4,5-trimethoxyphenyl)-3,11-dioxatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,13(17)-tetraene-6,12-dione
CID 42507073
(4S)-8-methyl-4-(3,4,5-trimethoxyphenyl)-3,11-dioxatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,13(17)-tetraene-6,12-dione
CID 42507072
4-(3,4-dimethoxyphenyl)-8-methyl-3,11-dioxatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,13(17)-tetraene-6,12-dione
CID 42648654
(2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
CID 42506641
(2R)-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3,9,10,11,12-hexahydroisochromeno[3,4-h]chromene-4,8-dione
CID 42507001
methyl 4-[(4S)-8-methyl-6,12-dioxo-3,11-dioxatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,13(17)-tetraen-4-yl]benzoate
CID 42507181
(2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one
CID 163105544
5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one
CID 14332451
(4S)-4-[4-(dimethylamino)phenyl]-8-methyl-3,11-dioxatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,13(17)-tetraene-6,12-dione
CID 42506862

Frequently Asked Questions

What is the IUPAC name of (2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione (CID 42506712) is (2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc([C@@H]2CC(=O)c3c(C)cc4oc(=O)c(C)c(C)c4c3O2)c(OC)c1OC.
What is the InChIKey of (2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is KBDSPVXWTFCPKZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24O7/c1-11-9-18-20(12(2)13(3)24(26)31-18)23-19(11)15(25)10-17(30-23)14-7-8-16(27-4)22(29-6)21(14)28-5/h7-9,17H,10H2,1-6H3/t17-/m0/s1.
What are the key properties of (2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
(2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 424.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 42506712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).