5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one

C30H34O5 — CID 25224570

IUPAC5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one
SMILESCC(C)=CCc1cc(-c2coc3c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c3c2=O)ccc1O
InChIInChI=1S/C30H34O5/c1-17(2)7-10-21-15-20(11-14-25(21)31)24-16-35-30-23(13-9-19(5)6)27(32)22(12-8-18(3)4)28(33)26(30)29(24)34/h7-9,11,14-16,31-33H,10,12-13H2,1-6H3
InChIKeyGBANFZMBHZDAOG-UHFFFAOYSA-N
MW474.60 g/mol
LogP7.10
Rot. Bonds7

About 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one

5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one (PubChem CID 25224570) has the molecular formula C30H34O5 and a molecular weight of 474.60 g/mol. Its IUPAC name is 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one
PubChem CID25224570
Molecular FormulaC30H34O5
Molecular Weight474.60 g/mol
Exact Mass474.24
IUPAC Name5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one
SMILESCC(C)=CCc1cc(-c2coc3c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c3c2=O)ccc1O
InChIInChI=1S/C30H34O5/c1-17(2)7-10-21-15-20(11-14-25(21)31)24-16-35-30-23(13-9-19(5)6)27(32)22(12-8-18(3)4)28(33)26(30)29(24)34/h7-9,11,14-16,31-33H,10,12-13H2,1-6H3
InChIKeyGBANFZMBHZDAOG-UHFFFAOYSA-N
XLogP7.10
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 57.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one (CID 25224570) is 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one is CC(C)=CCc1cc(-c2coc3c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c3c2=O)ccc1O.
What is the InChIKey of 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one?
The InChIKey is GBANFZMBHZDAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O5/c1-17(2)7-10-21-15-20(11-14-25(21)31)24-16-35-30-23(13-9-19(5)6)27(32)22(12-8-18(3)4)28(33)26(30)29(24)34/h7-9,11,14-16,31-33H,10,12-13H2,1-6H3.
What are the key properties of 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one?
5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one has a molecular weight of 474.60 g/mol, XLogP of 7.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one is sourced from PubChem (CID 25224570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).