Browse

Molecule Identifiers
Molecular Properties

ID: 48175

SMILES:
C1C(O)C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.102

InChIKey:
GWFLZKZPCUGDOC-UHFFFAOYSA-N

ID: 48176

SMILES:
c1(OCC2C(C)(C)Oc3cc(CCCCC)cc(O)c32)cc(O)c(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -15.215

InChIKey:
RYWYNBQDNSSKOI-UHFFFAOYSA-N

ID: 48177

SMILES:
C(C1(C)Oc2c(O)c(OC)cc(CCCCC)c2CC1C(C=C)(C)O)(O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.574

CB1 binding score: -14.68

InChIKey:
HWFOKAJHUDDASX-UHFFFAOYSA-N

ID: 48178

SMILES:
C(Cc1c2c(c(O)c(Br)c1O)OC(C)(C)C1CC=C(C)CC21)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 395.337

CB1 binding score: -14.065

InChIKey:
RRBHBFDJQUTYRI-UHFFFAOYSA-N

ID: 48179

SMILES:
Oc1c2c(ccc1)OC(C)(C)C1CCC(=C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -15.538

InChIKey:
UTZHXMWVUALWRI-UHFFFAOYSA-N

ID: 48180

SMILES:
c1(CCCCC)c2c(c3c(c1)OC(C)(C)C=C3)OCO2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -13.659

InChIKey:
NGJUSFLZSHMMSW-UHFFFAOYSA-N

ID: 48181

SMILES:
C(CCC(=C)C=CCC(=CCc1c(O)c(C)cc(O)c1)C)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.881

InChIKey:
XJGZQRUFAFFUAF-UHFFFAOYSA-N

ID: 48182

SMILES:
C(NC(CSc1ccccc1)=O)C(C)C1C(O)C2C(C)(Oc3c(c(OC)cc(CCCCC)c3)C2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 525.755

CB1 binding score: -15.109

InChIKey:
SPIDIDDATZXORS-UHFFFAOYSA-N

ID: 48183

SMILES:
C=C(C)C1CCC(O)(C)C2Oc3c(c(O)cc(CCCCC)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.142

InChIKey:
RBEAVAMWZAJWOI-UHFFFAOYSA-N

ID: 48184

SMILES:
CCOC1C=C(C)CC2C1C(C)(C)Oc1c2c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.982

InChIKey:
ODLVYFCFFSPDTD-UHFFFAOYSA-N

ID: 48185

SMILES:
c1c(C)c(CCCC)c(O)c2c1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.17

InChIKey:
ZHPUQSIMTYDTKX-UHFFFAOYSA-N

ID: 48186

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 48187

SMILES:
C123Oc4c(C(O)=O)c(CCCCC)cc(O)c4C1OC(CC2)C(=C)CCC3C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -16.65

InChIKey:
WMCXDFFDWRJEPB-UHFFFAOYSA-N

ID: 48188

SMILES:
C1(O)C(OC2C(C)(C)Oc3c2c(O)cc(CCCCC)c3)OC(CO)C(O)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.479

CB1 binding score: -16.608

InChIKey:
RZXBJCJCTUFMRB-UHFFFAOYSA-N

ID: 48189

SMILES:
C1(c2c(O)cc(CCCC)cc2O)C2(C(C)CCC1C(C)C)CCC(C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -15.493

InChIKey:
FEBGBRMGNQEZAU-UHFFFAOYSA-N

ID: 48190

SMILES:
C12C(O1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -19.296

InChIKey:
GEMPDHCIWOATES-UHFFFAOYSA-N

ID: 48191

SMILES:
C(C)C=CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.717

InChIKey:
WWHZEOCJUSEJSW-UHFFFAOYSA-N

ID: 48192

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(CCC1OC1(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.88

InChIKey:
YOKGZPDJGXKSEW-UHFFFAOYSA-N

ID: 48193

SMILES:
Oc1c2c(cc(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.766

InChIKey:
GNBSKWGIRCMMKP-UHFFFAOYSA-N

ID: 48194

SMILES:
O=C(C)OCC1=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.498

CB1 binding score: -16.693

InChIKey:
FAYLYZUAENOBAD-UHFFFAOYSA-N

ID: 48195

SMILES:
C1C2(CCC(CO)=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.67

InChIKey:
HGWGOAMQJDACCI-UHFFFAOYSA-N

2292229322942295229622972298
48175–48195 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties