(1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol

C28H22O7 — CID 162851479

IUPAC(1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol
SMILESOc1ccc([C@H]2[C@@H]3c4cc(O)cc(O)c4[C@H](c4ccc(O)cc4O)[C@H]2c2cc(O)cc(O)c23)cc1
InChIInChI=1S/C28H22O7/c29-13-3-1-12(2-4-13)23-27-18-7-15(31)10-21(34)24(18)26(17-6-5-14(30)9-20(17)33)28(23)19-8-16(32)11-22(35)25(19)27/h1-11,23,26-35H/t23-,26-,27-,28-/m0/s1
InChIKeyGNSJZCNHHBQAHE-WHHDSKRTSA-N
MW470.48 g/mol
LogP4.78
Rot. Bonds2

About (1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol

(1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol (PubChem CID 162851479) has the molecular formula C28H22O7 and a molecular weight of 470.48 g/mol. Its IUPAC name is (1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol.

Molecular Properties

Compound Name(1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol
PubChem CID162851479
Molecular FormulaC28H22O7
Molecular Weight470.48 g/mol
Exact Mass470.14
IUPAC Name(1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol
SMILESOc1ccc([C@H]2[C@@H]3c4cc(O)cc(O)c4[C@H](c4ccc(O)cc4O)[C@H]2c2cc(O)cc(O)c23)cc1
InChIInChI=1S/C28H22O7/c29-13-3-1-12(2-4-13)23-27-18-7-15(31)10-21(34)24(18)26(17-6-5-14(30)9-20(17)33)28(23)19-8-16(32)11-22(35)25(19)27/h1-11,23,26-35H/t23-,26-,27-,28-/m0/s1
InChIKeyGNSJZCNHHBQAHE-WHHDSKRTSA-N
XLogP4.78
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.48
LogP ≤ 54.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze (1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol 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

8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol
CID 162851478
(8S)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol
CID 135019135
(1R,8R,9S,16S)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol
CID 162890010
(4bR,5R,9bR,10R)-5,10-bis(4-hydroxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-2,4,7,9-tetrol
CID 155549180
(6R,6aS,11S,11aS)-11-(3,5-dihydroxyphenyl)-6-(4-hydroxyphenyl)-6,6a,11,11a-tetrahydroindeno[1,2-c]chromene-3,8,10-triol
CID 162957937
(1R,8R,9S,16S)-8,16-bis(4-hydroxyphenyl)-9-[(1R,8R,9R,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
CID 71595613
(2R,3R,10S,11R,19S)-3,11,19-tris(4-hydroxyphenyl)-20-oxahexacyclo[16.6.1.02,10.04,9.012,17.021,25]pentacosa-1(25),4(9),5,7,12(17),13,15,21,23-nonaene-5,7,13,15,23-pentol
CID 162924102
(1S,8S,9S,16S)-8,16-bis(4-hydroxyphenyl)-9-[(1S,8S,9S,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
CID 101094666
(1R,2R,3R,4R,10S,11R)-4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-3,11-bis(4-hydroxyphenyl)hexacyclo[8.7.6.12,5.012,17.018,23.09,24]tetracosa-5,7,9(24),12(17),13,15,18(23),19,21-nonaene-6,8,14,19,21-pentol
CID 11520820
(4bR,5R,9bR,10R)-10-(3,4-dihydroxyphenyl)-5-(3-hydroxy-4-methylphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-1,3,6,8-tetrol
CID 59502054
(1S,8R,16R)-9-[(1S,8R,16R)-6,12-dihydroxy-8,16-bis(4-hydroxyphenyl)-4-methyl-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
CID 46890013
(1R,8R,16R)-9-[(1R,8R,16R)-6,12-dihydroxy-8,16-bis(4-hydroxyphenyl)-4-methyl-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
CID 46890014

Frequently Asked Questions

What is the IUPAC name of (1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol?
The IUPAC name of (1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol (CID 162851479) is (1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol.
What is the SMILES notation for (1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol?
The canonical SMILES for (1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol is Oc1ccc([C@H]2[C@@H]3c4cc(O)cc(O)c4[C@H](c4ccc(O)cc4O)[C@H]2c2cc(O)cc(O)c23)cc1.
What is the InChIKey of (1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol?
The InChIKey is GNSJZCNHHBQAHE-WHHDSKRTSA-N. The full InChI is InChI=1S/C28H22O7/c29-13-3-1-12(2-4-13)23-27-18-7-15(31)10-21(34)24(18)26(17-6-5-14(30)9-20(17)33)28(23)19-8-16(32)11-22(35)25(19)27/h1-11,23,26-35H/t23-,26-,27-,28-/m0/s1.
What are the key properties of (1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol?
(1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol has a molecular weight of 470.48 g/mol, XLogP of 4.78, 2 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,9S,16R)-8-(2,4-dihydroxyphenyl)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol is sourced from PubChem (CID 162851479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).