(11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one

C18H16O7 — CID 11013340

IUPAC(11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one
SMILESCOc1ccc(OC)c2c3c(c(C(C)=O)c(O)c12)[C@H]1OC(=O)C[C@H]1O3
InChIInChI=1S/C18H16O7/c1-7(19)12-15-17-10(6-11(20)25-17)24-18(15)14-9(23-3)5-4-8(22-2)13(14)16(12)21/h4-5,10,17,21H,6H2,1-3H3/t10-,17+/m1/s1
InChIKeyYEHNWKCMMMIJOQ-QGHHPUGFSA-N
MW344.32 g/mol
LogP2.51
Rot. Bonds3

About (11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one

(11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one (PubChem CID 11013340) has the molecular formula C18H16O7 and a molecular weight of 344.32 g/mol. Its IUPAC name is (11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one.

Molecular Properties

Compound Name(11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one
PubChem CID11013340
Molecular FormulaC18H16O7
Molecular Weight344.32 g/mol
Exact Mass344.09
IUPAC Name(11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one
SMILESCOc1ccc(OC)c2c3c(c(C(C)=O)c(O)c12)[C@H]1OC(=O)C[C@H]1O3
InChIInChI=1S/C18H16O7/c1-7(19)12-15-17-10(6-11(20)25-17)24-18(15)14-9(23-3)5-4-8(22-2)13(14)16(12)21/h4-5,10,17,21H,6H2,1-3H3/t10-,17+/m1/s1
InChIKeyYEHNWKCMMMIJOQ-QGHHPUGFSA-N
XLogP2.51
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_55_B(1)', 'substructure': 'N/A'}

Analyze (11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,5R,9bS)-6,9-dimethoxy-5-methyl-3,3a,5,9b-tetrahydrofuro[3,2-c]isochromen-2-one
CID 71578620
(4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one
CID 71428897
(11R,15R,17R)-2,4,5,9-tetramethoxy-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one
CID 56590221
(10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
CID 99985297
5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one
CID 90150502
(11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one
CID 72724374
(4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one
CID 154707005
1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane
CID 174728392
6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
CID 91637784
6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
CID 102564845
1-[3-[bis(3-acetyl-2-hydroxy-4-methoxyphenyl)methyl]-2-hydroxy-6-methoxyphenyl]ethanone
CID 102327227
(2S,3S)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 725397

Frequently Asked Questions

What is the IUPAC name of (11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one?
The IUPAC name of (11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one (CID 11013340) is (11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one.
What is the SMILES notation for (11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one?
The canonical SMILES for (11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one is COc1ccc(OC)c2c3c(c(C(C)=O)c(O)c12)[C@H]1OC(=O)C[C@H]1O3.
What is the InChIKey of (11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one?
The InChIKey is YEHNWKCMMMIJOQ-QGHHPUGFSA-N. The full InChI is InChI=1S/C18H16O7/c1-7(19)12-15-17-10(6-11(20)25-17)24-18(15)14-9(23-3)5-4-8(22-2)13(14)16(12)21/h4-5,10,17,21H,6H2,1-3H3/t10-,17+/m1/s1.
What are the key properties of (11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one?
(11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one has a molecular weight of 344.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,15R)-9-acetyl-8-hydroxy-3,6-dimethoxy-12,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one is sourced from PubChem (CID 11013340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).