7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione

C36H30O10 — CID 11082676

IUPAC7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione
SMILESCOc1cc2c(c(O)c1C(C)C)c(=O)c1c(O)cc(O)c3c4c(O)cc(O)c5c(=O)c6c(O)c(C(C)C)c(OC)cc6c(c54)c2c13
InChIInChI=1S/C36H30O10/c1-11(2)21-19(45-5)7-13-23-24-14-8-20(46-6)22(12(3)4)34(42)26(14)36(44)30-18(40)10-16(38)28(32(24)30)27-15(37)9-17(39)29(31(23)27)35(43)25(13)33(21)41/h7-12,37-42H,1-6H3
InChIKeyGOQFKRQVZYDKDT-UHFFFAOYSA-N
MW622.63 g/mol
LogP6.70
Rot. Bonds4

About 7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione

7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione (PubChem CID 11082676) has the molecular formula C36H30O10 and a molecular weight of 622.63 g/mol. Its IUPAC name is 7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione.

Molecular Properties

Compound Name7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione
PubChem CID11082676
Molecular FormulaC36H30O10
Molecular Weight622.63 g/mol
Exact Mass622.18
IUPAC Name7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione
SMILESCOc1cc2c(c(O)c1C(C)C)c(=O)c1c(O)cc(O)c3c4c(O)cc(O)c5c(=O)c6c(O)c(C(C)C)c(OC)cc6c(c54)c2c13
InChIInChI=1S/C36H30O10/c1-11(2)21-19(45-5)7-13-23-24-14-8-20(46-6)22(12(3)4)34(42)26(14)36(44)30-18(40)10-16(38)28(32(24)30)27-15(37)9-17(39)29(31(23)27)35(43)25(13)33(21)41/h7-12,37-42H,1-6H3
InChIKeyGOQFKRQVZYDKDT-UHFFFAOYSA-N
XLogP6.70
TPSA173.98 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500622.63
LogP ≤ 56.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione 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

5-bromo-3-methoxy-2-propan-2-ylphenol
CID 84704901
1,6-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 5316837
1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one
CID 14734323
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
CID 163060449
1,3-dihydroxy-2,5,6,7-tetramethoxyxanthen-9-one
CID 91189315
8-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2H-phenanthrene-9,10-dione
CID 5318272
1,5,8-trihydroxy-3,4-dimethoxyxanthen-9-one
CID 86183532
2,5-dichloro-6,8-dihydroxy-3-methoxy-1-methylxanthen-9-one
CID 14992081
2,7,9-trihydroxy-3-methoxy-1-methylbenzo[c]chromen-6-one
CID 171060646
6,7-dimethoxy-2,3-dimethyl-4-propan-2-ylisoquinolin-1-one
CID 165044810
8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone
CID 131884068
1,2,6-trihydroxy-8-methoxyxanthen-9-one
CID 123716536

Frequently Asked Questions

What is the IUPAC name of 7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione?
The IUPAC name of 7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione (CID 11082676) is 7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione.
What is the SMILES notation for 7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione?
The canonical SMILES for 7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione is COc1cc2c(c(O)c1C(C)C)c(=O)c1c(O)cc(O)c3c4c(O)cc(O)c5c(=O)c6c(O)c(C(C)C)c(OC)cc6c(c54)c2c13.
What is the InChIKey of 7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione?
The InChIKey is GOQFKRQVZYDKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30O10/c1-11(2)21-19(45-5)7-13-23-24-14-8-20(46-6)22(12(3)4)34(42)26(14)36(44)30-18(40)10-16(38)28(32(24)30)27-15(37)9-17(39)29(31(23)27)35(43)25(13)33(21)41/h7-12,37-42H,1-6H3.
What are the key properties of 7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione?
7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione has a molecular weight of 622.63 g/mol, XLogP of 6.70, 4 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione is sourced from PubChem (CID 11082676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).