3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one

C30H34O7 — CID 25178184

About 3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one

3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one (PubChem CID 25178184) has the molecular formula C30H34O7 and a molecular weight of 506.60 g/mol. Its IUPAC name is 3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one.

Molecular Properties

• Compound Name: 3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one
• PubChem CID: 25178184
• Molecular Formula: C30H34O7
• Molecular Weight: 506.60 g/mol
• Exact Mass: 506.23
• IUPAC Name: 3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one
• SMILES: C=C(C)[C@@H](O)Cc1ccc(-c2oc3c4c(c(CC=C(C)C)c(O)c3c(=O)c2O)OC(C)(C)CC4)cc1O
• InChI: InChI=1S/C30H34O7/c1-15(2)7-10-19-24(33)23-25(34)26(35)27(36-29(23)20-11-12-30(5,6)37-28(19)20)18-9-8-17(22(32)14-18)13-21(31)16(3)4/h7-9,14,21,31-33,35H,3,10-13H2,1-2,4-6H3/t21-/m0/s1
• InChIKey: LGOMXMSCNFANHV-NRFANRHFSA-N
• XLogP: 5.67
• TPSA: 120.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.60
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one?

The IUPAC name of 3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one (CID 25178184) is 3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one.

What is the SMILES notation for 3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one?

The canonical SMILES for 3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one is C=C(C)[C@@H](O)Cc1ccc(-c2oc3c4c(c(CC=C(C)C)c(O)c3c(=O)c2O)OC(C)(C)CC4)cc1O.

What is the InChIKey of 3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one?

The InChIKey is LGOMXMSCNFANHV-NRFANRHFSA-N. The full InChI is InChI=1S/C30H34O7/c1-15(2)7-10-19-24(33)23-25(34)26(35)27(36-29(23)20-11-12-30(5,6)37-28(19)20)18-9-8-17(22(32)14-18)13-21(31)16(3)4/h7-9,14,21,31-33,35H,3,10-13H2,1-2,4-6H3/t21-/m0/s1.

What are the key properties of 3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one?

3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one has a molecular weight of 506.60 g/mol, XLogP of 5.67, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one is sourced from PubChem (CID 25178184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).