(1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone

C30H22O10 — CID 6326683

IUPAC(1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone
SMILESCC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C1C[C@@H](C3=O)C23C(=O)c4cc(C)cc(O)c4C(O)=C2C(=O)C[C@H](O)[C@@H]13
InChIInChI=1S/C30H22O10/c1-8-3-11-17(13(31)4-8)28(39)23-16(34)7-15(33)22-10-6-12(30(22,23)29(11)40)25(36)20-18(10)26(37)21-19(27(20)38)14(32)5-9(2)24(21)35/h3-5,10,12,15,22,31,33,37-39H,6-7H2,1-2H3/t10?,12-,15-,22+,30?/m0/s1
InChIKeyWOIVPPYLIZNFSY-YRKFRMOSSA-N
MW542.50 g/mol
LogP2.84
Rot. Bonds

About (1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone

(1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone (PubChem CID 6326683) has the molecular formula C30H22O10 and a molecular weight of 542.50 g/mol. Its IUPAC name is (1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone.

Molecular Properties

Compound Name(1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone
PubChem CID6326683
Molecular FormulaC30H22O10
Molecular Weight542.50 g/mol
Exact Mass542.12
IUPAC Name(1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone
SMILESCC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C1C[C@@H](C3=O)C23C(=O)c4cc(C)cc(O)c4C(O)=C2C(=O)C[C@H](O)[C@@H]13
InChIInChI=1S/C30H22O10/c1-8-3-11-17(13(31)4-8)28(39)23-16(34)7-15(33)22-10-6-12(30(22,23)29(11)40)25(36)20-18(10)26(37)21-19(27(20)38)14(32)5-9(2)24(21)35/h3-5,10,12,15,22,31,33,37-39H,6-7H2,1-2H3/t10?,12-,15-,22+,30?/m0/s1
InChIKeyWOIVPPYLIZNFSY-YRKFRMOSSA-N
XLogP2.84
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.50
LogP ≤ 52.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_D(1)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze (1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone 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

6,13,18,20,27-pentahydroxy-9,22-dimethylheptacyclo[13.10.2.01,17.04,26.05,14.07,12.019,24]heptacosa-5(14),6,9,12,17,19(24),20,22-octaene-3,8,11,16,25-pentone
CID 162883008
(1R,4R,15R,26R,27S)-6,13,18,20,27-pentahydroxy-9,22-dimethylheptacyclo[13.10.2.01,17.04,26.05,14.07,12.019,24]heptacosa-5(14),6,9,12,17,19(24),20,22-octaene-3,8,11,16,25-pentone
CID 162883010
(1R,2S,13R,14S,15S,16R,17S,28S)-8,10,14,23,25,28-hexahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4(9),5,7,10,19(24),20,22,25-octaene-3,12,18,27-tetrone
CID 11497570
(1R,2R,13R,14R,15S,16S,17R,28S)-8,10,14,23,25,28-hexahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4(9),5,7,10,19(24),20,22,25-octaene-3,12,18,27-tetrone
CID 98149943
5,8,10,14,20,23,28-heptahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4,6,8,10,17(26),19,21,23-octaene-3,12,18,25,27-pentone
CID 138398591
(1R,4R,15R,26S,27R)-11,18,20,27-tetrahydroxy-9,22-dimethylheptacyclo[13.10.2.01,17.04,26.05,14.07,12.019,24]heptacosa-5(14),7(12),8,10,17,19(24),20,22-octaene-3,6,13,16,25-pentone
CID 170990037
5,8-dihydroxy-2-methyl-6-[(2-methylpyrrolidin-1-yl)methyl]naphthalene-1,4-dione
CID 142171646
methyl (1R,7R,13S)-11,16,18-trihydroxy-20-methyl-9,14,23-trioxo-7-[(2S)-5-oxooxolan-2-yl]-6-oxahexacyclo[11.10.2.01,15.03,12.05,10.017,22]pentacosa-3,5(10),11,15,17(22),18,20,24-octaene-7-carboxylate
CID 71720663
1,4,8-trihydroxy-6-methyl-2-(1,4,8-trihydroxy-6-methyl-9,10-dioxoanthracen-2-yl)anthracene-9,10-dione
CID 25112177
2-[(1R,3S)-5,10-dihydroxy-1,8-dimethyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
CID 101237626
1,3-dibromo-2,4,5-trihydroxy-7-methylanthracene-9,10-dione
CID 10251951
(4S,4aS,9aR)-4a,9a-dichloro-8-hydroxy-4-methoxy-6-methyl-3,4-dihydro-1H-anthracene-2,9,10-trione
CID 100994921

Frequently Asked Questions

What is the IUPAC name of (1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone?
The IUPAC name of (1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone (CID 6326683) is (1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone.
What is the SMILES notation for (1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone?
The canonical SMILES for (1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone is CC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C1C[C@@H](C3=O)C23C(=O)c4cc(C)cc(O)c4C(O)=C2C(=O)C[C@H](O)[C@@H]13.
What is the InChIKey of (1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone?
The InChIKey is WOIVPPYLIZNFSY-YRKFRMOSSA-N. The full InChI is InChI=1S/C30H22O10/c1-8-3-11-17(13(31)4-8)28(39)23-16(34)7-15(33)22-10-6-12(30(22,23)29(11)40)25(36)20-18(10)26(37)21-19(27(20)38)14(32)5-9(2)24(21)35/h3-5,10,12,15,22,31,33,37-39H,6-7H2,1-2H3/t10?,12-,15-,22+,30?/m0/s1.
What are the key properties of (1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone?
(1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone has a molecular weight of 542.50 g/mol, XLogP of 2.84, 0 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,14S,15S)-8,10,14,18,25-pentahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone is sourced from PubChem (CID 6326683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).