8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione

C18H22O7 — CID 145196040

IUPAC8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
SMILESCC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3CC(O)C(O)C2(C)C31
InChIInChI=1S/C18H22O7/c1-6(2)14-11-8(5-10(20)24-14)18(3)12-7(4-9(19)16(18)22)17(23)25-15(12)13(11)21/h5-7,9,12-13,15-16,19,21-22H,4H2,1-3H3
InChIKeyLOODUNLGAJOCST-UHFFFAOYSA-N
MW350.37 g/mol
LogP0.35
Rot. Bonds1

About 8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione

8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione (PubChem CID 145196040) has the molecular formula C18H22O7 and a molecular weight of 350.37 g/mol. Its IUPAC name is 8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione.

Molecular Properties

Compound Name8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
PubChem CID145196040
Molecular FormulaC18H22O7
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
SMILESCC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3CC(O)C(O)C2(C)C31
InChIInChI=1S/C18H22O7/c1-6(2)14-11-8(5-10(20)24-14)18(3)12-7(4-9(19)16(18)22)17(23)25-15(12)13(11)21/h5-7,9,12-13,15-16,19,21-22H,4H2,1-3H3
InChIKeyLOODUNLGAJOCST-UHFFFAOYSA-N
XLogP0.35
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione with MolForge

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Related Compounds

(1S,2R,5S,6S,9R,10R,17S)-5,10-dihydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione
CID 6713066
(1S,8R,9S,12R,13R,14R,15R,16S)-15-chloro-8,13,14-trihydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
CID 11429458
8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
CID 162890395
[(1S,8R,9S,12S,15R,16R)-15-hydroxy-1,12-dimethyl-4,11-dioxo-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-dien-8-yl] butanoate
CID 102194132
(8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-tert-butyl-4-methylpentanoate
CID 163445773
2-hydroxy-1-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 20576379
(6R)-2-methyl-3-sulfanyl-8-oxatetracyclo[4.3.0.02,4.03,9]nonan-7-one
CID 155476116
(16R,17S,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propan-2-yl-3,9-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,11,13-pentaen-4-one
CID 511351
(5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxyoxolan-2-one
CID 59875119
6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane
CID 155578031
(3R,5S)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxyoxolan-2-one
CID 71146583
(4S,5S)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxyoxolan-2-one
CID 45039607

Frequently Asked Questions

What is the IUPAC name of 8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione?
The IUPAC name of 8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione (CID 145196040) is 8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione.
What is the SMILES notation for 8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione?
The canonical SMILES for 8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione is CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3CC(O)C(O)C2(C)C31.
What is the InChIKey of 8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione?
The InChIKey is LOODUNLGAJOCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O7/c1-6(2)14-11-8(5-10(20)24-14)18(3)12-7(4-9(19)16(18)22)17(23)25-15(12)13(11)21/h5-7,9,12-13,15-16,19,21-22H,4H2,1-3H3.
What are the key properties of 8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione?
8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione has a molecular weight of 350.37 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione is sourced from PubChem (CID 145196040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).