(9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol

C21H26O6 — CID 46832246

IUPAC(9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol
SMILESCOc1cc2c(c(O)c1OC)-c1c(cc(O)c(OC)c1O)C[C@@H](C)[C@@H](C)C2
InChIInChI=1S/C21H26O6/c1-10-6-12-8-14(22)20(26-4)18(23)16(12)17-13(7-11(10)2)9-15(25-3)21(27-5)19(17)24/h8-11,22-24H,6-7H2,1-5H3/t10-,11+/m1/s1
InChIKeyFEKVZUDOFFNYLV-MNOVXSKESA-N
MW374.43 g/mol
LogP3.87
Rot. Bonds3

About (9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol

(9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol (PubChem CID 46832246) has the molecular formula C21H26O6 and a molecular weight of 374.43 g/mol. Its IUPAC name is (9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol.

Molecular Properties

Compound Name(9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol
PubChem CID46832246
Molecular FormulaC21H26O6
Molecular Weight374.43 g/mol
Exact Mass374.17
IUPAC Name(9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol
SMILESCOc1cc2c(c(O)c1OC)-c1c(cc(O)c(OC)c1O)C[C@@H](C)[C@@H](C)C2
InChIInChI=1S/C21H26O6/c1-10-6-12-8-14(22)20(26-4)18(23)16(12)17-13(7-11(10)2)9-15(25-3)21(27-5)19(17)24/h8-11,22-24H,6-7H2,1-5H3/t10-,11+/m1/s1
InChIKeyFEKVZUDOFFNYLV-MNOVXSKESA-N
XLogP3.87
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol with MolForge

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Related Compounds

(9S,10S)-4,5,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,14-diol
CID 163059787
4,5,19-trimethoxy-9,10-dimethyltetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2,4,6,13,18-hexaen-3-ol
CID 78157446
(9S,10R)-6-bromo-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-3-ol
CID 90671321
(9R,10S)-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-19-ol
CID 16728078
(9S,10R)-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-19-ol
CID 14992068
3,4,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,10-diol
CID 14214005
(9S,10S)-3,4,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,10-diol
CID 5317812
[(8S,9R,10S)-9,14,16-trihydroxy-3,4,5,15-tetramethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (E)-2-methylbut-2-enoate
CID 45484597
(6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 53359709
(9S,10R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-ol
CID 38988908
(9R,10R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-ol
CID 10455507
3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol
CID 14049974

Frequently Asked Questions

What is the IUPAC name of (9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol?
The IUPAC name of (9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol (CID 46832246) is (9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol.
What is the SMILES notation for (9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol?
The canonical SMILES for (9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol is COc1cc2c(c(O)c1OC)-c1c(cc(O)c(OC)c1O)C[C@@H](C)[C@@H](C)C2.
What is the InChIKey of (9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol?
The InChIKey is FEKVZUDOFFNYLV-MNOVXSKESA-N. The full InChI is InChI=1S/C21H26O6/c1-10-6-12-8-14(22)20(26-4)18(23)16(12)17-13(7-11(10)2)9-15(25-3)21(27-5)19(17)24/h8-11,22-24H,6-7H2,1-5H3/t10-,11+/m1/s1.
What are the key properties of (9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol?
(9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol has a molecular weight of 374.43 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol is sourced from PubChem (CID 46832246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).