6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one

C30H26O10 — CID 102072097

IUPAC6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one
SMILESCOc1cc(O)c2c(O)c3c(cc2c1-c1c(OC)cc(O)c2c(O)c4c(cc12)CC(C)OC4=O)CC(C)OC3=O
InChIInChI=1S/C30H26O10/c1-11-5-13-7-15-23(27(33)21(13)29(35)39-11)17(31)9-19(37-3)25(15)26-16-8-14-6-12(2)40-30(36)22(14)28(34)24(16)18(32)10-20(26)38-4/h7-12,31-34H,5-6H2,1-4H3
InChIKeyFDWJUXZXNAQEPD-UHFFFAOYSA-N
MW546.53 g/mol
LogP4.70
Rot. Bonds3

About 6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one

6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one (PubChem CID 102072097) has the molecular formula C30H26O10 and a molecular weight of 546.53 g/mol. Its IUPAC name is 6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one.

Molecular Properties

Compound Name6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one
PubChem CID102072097
Molecular FormulaC30H26O10
Molecular Weight546.53 g/mol
Exact Mass546.15
IUPAC Name6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one
SMILESCOc1cc(O)c2c(O)c3c(cc2c1-c1c(OC)cc(O)c2c(O)c4c(cc12)CC(C)OC4=O)CC(C)OC3=O
InChIInChI=1S/C30H26O10/c1-11-5-13-7-15-23(27(33)21(13)29(35)39-11)17(31)9-19(37-3)25(15)26-16-8-14-6-12(2)40-30(36)22(14)28(34)24(16)18(32)10-20(26)38-4/h7-12,31-34H,5-6H2,1-4H3
InChIKeyFDWJUXZXNAQEPD-UHFFFAOYSA-N
XLogP4.70
TPSA151.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.53
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one with MolForge

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Related Compounds

(10-hydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-9-yl) acetate
CID 162998589
8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one
CID 15677559
3-[(3R)-9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl]-5-hydroxy-2-methoxynaphthalene-1,4-dione
CID 162975052
(3S)-10-hydroxy-3-methyl-7,9-di(propan-2-yloxy)-3,4-dihydrobenzo[g]isochromen-1-one
CID 25033913
(7S)-3,18-dihydroxy-13-methoxy-7-methyl-6,25-dioxahexacyclo[12.11.0.02,11.04,9.015,24.017,22]pentacosa-1(14),2,4(9),10,12,15(24),17(22),18,20-nonaene-5,16,23-trione
CID 162902472
(9R,23R)-5,19-dihydroxy-29-methoxy-9,23-dimethyl-8,16,22-trioxaheptacyclo[15.12.0.02,15.04,13.06,11.018,27.020,25]nonacosa-1(17),2(15),4(13),5,11,18,20(25),26,28-nonaene-3,7,14,21-tetrone
CID 85470810
methyl (3S)-4-[8-[(3S)-9,10-dihydroxy-7-methoxy-3-(2-methoxy-2-oxoethyl)-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl]-5-hydroxy-7-methoxy-3,4-dioxonaphthalen-2-yl]-3-hydroxybutanoate
CID 162816336
3-hydroxy-5-methoxy-2,2,8-trimethyl-3,4,7,8-tetrahydropyrano[4,3-h]chromen-10-one
CID 131752232
7-hydroxy-8-methoxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
CID 163116437
(3S)-8-[(3S)-6,7-dihydroxy-3-methyl-1,9,10-trioxo-3,4-dihydrobenzo[h]isochromen-8-yl]-6,7-dihydroxy-3-methyl-3,4-dihydrobenzo[h]isochromene-1,9,10-trione
CID 125181857
(4S)-14-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
CID 14562696
(3S)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 10921069

Frequently Asked Questions

What is the IUPAC name of 6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one?
The IUPAC name of 6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one (CID 102072097) is 6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one.
What is the SMILES notation for 6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one?
The canonical SMILES for 6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one is COc1cc(O)c2c(O)c3c(cc2c1-c1c(OC)cc(O)c2c(O)c4c(cc12)CC(C)OC4=O)CC(C)OC3=O.
What is the InChIKey of 6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one?
The InChIKey is FDWJUXZXNAQEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O10/c1-11-5-13-7-15-23(27(33)21(13)29(35)39-11)17(31)9-19(37-3)25(15)26-16-8-14-6-12(2)40-30(36)22(14)28(34)24(16)18(32)10-20(26)38-4/h7-12,31-34H,5-6H2,1-4H3.
What are the key properties of 6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one?
6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one has a molecular weight of 546.53 g/mol, XLogP of 4.70, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one is sourced from PubChem (CID 102072097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).