(1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol

C21H20O5 — CID 10871871

IUPAC(1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol
SMILESC=C(C)C1Cc2cc3c(cc2O1)OC[C@H]1c2ccc(OC)c(O)c2O[C@@H]31
InChIInChI=1S/C21H20O5/c1-10(2)16-7-11-6-13-18(8-17(11)25-16)24-9-14-12-4-5-15(23-3)19(22)21(12)26-20(13)14/h4-6,8,14,16,20,22H,1,7,9H2,2-3H3/t14-,16?,20-/m0/s1
InChIKeyIJYFCLZEBZPQIZ-VXCCZKMHSA-N
MW352.39 g/mol
LogP3.89
Rot. Bonds2

About (1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol

(1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol (PubChem CID 10871871) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is (1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol.

Molecular Properties

Compound Name(1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol
PubChem CID10871871
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name(1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol
SMILESC=C(C)C1Cc2cc3c(cc2O1)OC[C@H]1c2ccc(OC)c(O)c2O[C@@H]31
InChIInChI=1S/C21H20O5/c1-10(2)16-7-11-6-13-18(8-17(11)25-16)24-9-14-12-4-5-15(23-3)19(22)21(12)26-20(13)14/h4-6,8,14,16,20,22H,1,7,9H2,2-3H3/t14-,16?,20-/m0/s1
InChIKeyIJYFCLZEBZPQIZ-VXCCZKMHSA-N
XLogP3.89
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol 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

(1R,6R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol
CID 46939889
5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
CID 86231271
(6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CID 11462431
(1R,12R)-16-methoxy-6,8,11,19-tetraoxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaene
CID 162958693
(1R,12R)-15,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene
CID 44584106
(6aR,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CID 53298585
(6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
CID 162852583
9-methoxy-8-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CID 162978049
(6aR,11aR)-10-[(1E)-2,3-dimethylbuta-1,3-dienyl]-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 171353865
3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol
CID 156700370
(1R,12R)-16,17-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene
CID 22296258
(3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-yl) acetate
CID 162955763

Frequently Asked Questions

What is the IUPAC name of (1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol?
The IUPAC name of (1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol (CID 10871871) is (1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol.
What is the SMILES notation for (1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol?
The canonical SMILES for (1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol is C=C(C)C1Cc2cc3c(cc2O1)OC[C@H]1c2ccc(OC)c(O)c2O[C@@H]31.
What is the InChIKey of (1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol?
The InChIKey is IJYFCLZEBZPQIZ-VXCCZKMHSA-N. The full InChI is InChI=1S/C21H20O5/c1-10(2)16-7-11-6-13-18(8-17(11)25-16)24-9-14-12-4-5-15(23-3)19(22)21(12)26-20(13)14/h4-6,8,14,16,20,22H,1,7,9H2,2-3H3/t14-,16?,20-/m0/s1.
What are the key properties of (1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol?
(1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol has a molecular weight of 352.39 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol is sourced from PubChem (CID 10871871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).