(10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione

C20H14O6 — CID 156581539

IUPAC(10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione
SMILESO=C1CC(O)C2=C3c4cccc(O)c4C(=O)[C@@H](O)[C@@H]3c3ccc(O)c1c32
InChIInChI=1S/C20H14O6/c21-9-3-1-2-7-13(9)19(25)20(26)16-8-4-5-10(22)17-11(23)6-12(24)18(14(7)16)15(8)17/h1-5,12,16,20-22,24,26H,6H2/t12?,16-,20+/m1/s1
InChIKeyNTUQETAZLLDXIV-GARHKUQKSA-N
MW350.33 g/mol
LogP1.61
Rot. Bonds

About (10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione

(10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione (PubChem CID 156581539) has the molecular formula C20H14O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is (10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione.

Molecular Properties

Compound Name(10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione
PubChem CID156581539
Molecular FormulaC20H14O6
Molecular Weight350.33 g/mol
Exact Mass350.08
IUPAC Name(10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione
SMILESO=C1CC(O)C2=C3c4cccc(O)c4C(=O)[C@@H](O)[C@@H]3c3ccc(O)c1c32
InChIInChI=1S/C20H14O6/c21-9-3-1-2-7-13(9)19(25)20(26)16-8-4-5-10(22)17-11(23)6-12(24)18(14(7)16)15(8)17/h1-5,12,16,20-22,24,26H,6H2/t12?,16-,20+/m1/s1
InChIKeyNTUQETAZLLDXIV-GARHKUQKSA-N
XLogP1.61
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione?
The IUPAC name of (10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione (CID 156581539) is (10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione.
What is the SMILES notation for (10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione?
The canonical SMILES for (10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione is O=C1CC(O)C2=C3c4cccc(O)c4C(=O)[C@@H](O)[C@@H]3c3ccc(O)c1c32.
What is the InChIKey of (10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione?
The InChIKey is NTUQETAZLLDXIV-GARHKUQKSA-N. The full InChI is InChI=1S/C20H14O6/c21-9-3-1-2-7-13(9)19(25)20(26)16-8-4-5-10(22)17-11(23)6-12(24)18(14(7)16)15(8)17/h1-5,12,16,20-22,24,26H,6H2/t12?,16-,20+/m1/s1.
What are the key properties of (10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione?
(10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione has a molecular weight of 350.33 g/mol, XLogP of 1.61, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione is sourced from PubChem (CID 156581539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).