9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one

C34H38O10 — CID 102107759

IUPAC9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one
SMILESCOc1c2c(c(OC)c(-c3c(OC)c(OC)c4c(c3OC)C(O)=C3C(=O)CCCC3C4)c1OC)C(O)=C1C(=O)CCCC1C2
InChIInChI=1S/C34H38O10/c1-39-29-17-13-15-9-7-11-19(35)21(15)27(37)23(17)31(41-3)25(33(29)43-5)26-32(42-4)24-18(30(40-2)34(26)44-6)14-16-10-8-12-20(36)22(16)28(24)38/h15-16,37-38H,7-14H2,1-6H3
InChIKeyACSYVBFQCRBWBR-UHFFFAOYSA-N
MW606.67 g/mol
LogP5.79
Rot. Bonds7

About 9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one

9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one (PubChem CID 102107759) has the molecular formula C34H38O10 and a molecular weight of 606.67 g/mol. Its IUPAC name is 9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one.

Molecular Properties

Compound Name9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one
PubChem CID102107759
Molecular FormulaC34H38O10
Molecular Weight606.67 g/mol
Exact Mass606.25
IUPAC Name9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one
SMILESCOc1c2c(c(OC)c(-c3c(OC)c(OC)c4c(c3OC)C(O)=C3C(=O)CCCC3C4)c1OC)C(O)=C1C(=O)CCCC1C2
InChIInChI=1S/C34H38O10/c1-39-29-17-13-15-9-7-11-19(35)21(15)27(37)23(17)31(41-3)25(33(29)43-5)26-32(42-4)24-18(30(40-2)34(26)44-6)14-16-10-8-12-20(36)22(16)28(24)38/h15-16,37-38H,7-14H2,1-6H3
InChIKeyACSYVBFQCRBWBR-UHFFFAOYSA-N
XLogP5.79
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.67
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one with MolForge

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Related Compounds

5,8,9-trihydroxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one
CID 66524912
7,8-dimethoxy-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one
CID 19820648
9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one
CID 171976359
6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 70000980
ethyl 9-hydroxy-1-methoxy-8-oxo-5,5a,6,7-tetrahydrocyclopenta[g]isoquinoline-3-carboxylate
CID 15660513
2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 24973086
2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione
CID 56589909
(4S)-18-hydroxy-15,16-dimethoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8,9,10-tetrone
CID 91568889
7-hydroxy-2,3,4-trimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71271654
6-methoxy-1,2,3,6,7,8,9,9a-octahydrobenzo[7]annulen-4-one
CID 11435495
(9S,10R,12R)-9-amino-2,8,25-trihydroxy-15-methoxy-4,6-dioxo-18,23-diazahexacyclo[12.11.0.03,12.05,10.016,24.017,21]pentacosa-1(14),2,7,15,24-pentaene-7-carboxamide
CID 153449107
3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one
CID 83554775

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one?
The IUPAC name of 9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one (CID 102107759) is 9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one.
What is the SMILES notation for 9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one?
The canonical SMILES for 9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one is COc1c2c(c(OC)c(-c3c(OC)c(OC)c4c(c3OC)C(O)=C3C(=O)CCCC3C4)c1OC)C(O)=C1C(=O)CCCC1C2.
What is the InChIKey of 9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one?
The InChIKey is ACSYVBFQCRBWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O10/c1-39-29-17-13-15-9-7-11-19(35)21(15)27(37)23(17)31(41-3)25(33(29)43-5)26-32(42-4)24-18(30(40-2)34(26)44-6)14-16-10-8-12-20(36)22(16)28(24)38/h15-16,37-38H,7-14H2,1-6H3.
What are the key properties of 9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one?
9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one has a molecular weight of 606.67 g/mol, XLogP of 5.79, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one is sourced from PubChem (CID 102107759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).