(9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate

C19H26O7 — CID 158666647

IUPAC(9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate
SMILESCOc1cc(O)c2c(c1)C1CC1CCCC(=O)/C=C\CCOC2=O.O.O
InChIInChI=1S/C19H22O5.2H2O/c1-23-14-10-16-15-9-12(15)5-4-7-13(20)6-2-3-8-24-19(22)18(16)17(21)11-14;;/h2,6,10-12,15,21H,3-5,7-9H2,1H3;2*1H2/b6-2-;;
InChIKeyHPCPXLYVHPESPH-VHXUHSAGSA-N
MW366.41 g/mol
LogP1.71
Rot. Bonds1

About (9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate

(9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate (PubChem CID 158666647) has the molecular formula C19H26O7 and a molecular weight of 366.41 g/mol. Its IUPAC name is (9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate.

Molecular Properties

Compound Name(9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate
PubChem CID158666647
Molecular FormulaC19H26O7
Molecular Weight366.41 g/mol
Exact Mass366.17
IUPAC Name(9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate
SMILESCOc1cc(O)c2c(c1)C1CC1CCCC(=O)/C=C\CCOC2=O.O.O
InChIInChI=1S/C19H22O5.2H2O/c1-23-14-10-16-15-9-12(15)5-4-7-13(20)6-2-3-8-24-19(22)18(16)17(21)11-14;;/h2,6,10-12,15,21H,3-5,7-9H2,1H3;2*1H2/b6-2-;;
InChIKeyHPCPXLYVHPESPH-VHXUHSAGSA-N
XLogP1.71
TPSA135.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate 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

(6E,9S,12E)-9,18-dihydroxy-16-methoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one
CID 58750245
(6S,7S,9Z,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
CID 59466773
16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one
CID 68870378
(6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 58750339
N-[2-[[(6Z,12E)-18-hydroxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]oxy]ethyl]-N-methylacetamide
CID 58750083
(4S)-18-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8,9-trione
CID 91604389
(4S,15E)-21-hydroxy-19-methoxy-4-methyl-3,9,12-trioxabicyclo[15.4.0]henicosa-1(17),15,18,20-tetraene-2,8,13-trione
CID 44575028
(3S,4S)-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
CID 93061334
(4S,8S,12Z)-8,18-dihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
CID 20842527
(6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione
CID 143627391
(6Z,10S,12E)-16-chloro-10,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 58750053
(3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione
CID 71593227

Frequently Asked Questions

What is the IUPAC name of (9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate?
The IUPAC name of (9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate (CID 158666647) is (9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate.
What is the SMILES notation for (9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate?
The canonical SMILES for (9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate is COc1cc(O)c2c(c1)C1CC1CCCC(=O)/C=C\CCOC2=O.O.O.
What is the InChIKey of (9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate?
The InChIKey is HPCPXLYVHPESPH-VHXUHSAGSA-N. The full InChI is InChI=1S/C19H22O5.2H2O/c1-23-14-10-16-15-9-12(15)5-4-7-13(20)6-2-3-8-24-19(22)18(16)17(21)11-14;;/h2,6,10-12,15,21H,3-5,7-9H2,1H3;2*1H2/b6-2-;;.
What are the key properties of (9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate?
(9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate has a molecular weight of 366.41 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate is sourced from PubChem (CID 158666647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).