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Molecule Identifiers
Molecular Properties

ID: 72136

SMILES:
CC1(C)C(Cl)C2=C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.914

CB1 binding score: -13.958

InChIKey:
JLUFUCBWMOHTHH-UHFFFAOYSA-N

ID: 72137

SMILES:
Oc1c(O)c2c(cc1C)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.186

InChIKey:
XWMNHGVOSIHLHJ-UHFFFAOYSA-N

ID: 72138

SMILES:
C(C)(=C)C1C(c2c(O)cc(CCCCC)c(O)c2)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.048

InChIKey:
FUZJMTMPVZRGQF-UHFFFAOYSA-N

ID: 72139

SMILES:
O=C(C)OCc1cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.869

InChIKey:
HYACFWIHCXMKDM-UHFFFAOYSA-N

ID: 72140

SMILES:
CC(C)=CCCC(O1)(C)CCOc2cc(CCCCC)cc(OC)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.817

InChIKey:
AKHAXGWDDZZVTN-UHFFFAOYSA-N

ID: 72141

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.946

InChIKey:
ZZWBNNWUXWMLHU-UHFFFAOYSA-N

ID: 72142

SMILES:
O1c2c(c(OC)cc(O)c2)C2CC(C)=CCC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.527

InChIKey:
QGMOAJVZFIQWPU-UHFFFAOYSA-N

ID: 72143

SMILES:
c1(CCC)cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 72144

SMILES:
C1(C)=CCCC2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2CC1OC3=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -15.195

InChIKey:
HJHDAMFDFZQFMA-UHFFFAOYSA-N

ID: 72145

SMILES:
O=C1c2c(c(CCCCC)cc3c2CC(C)(C)O3)OC(C)(C)C1C=Cc1cc(C)c(OC)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.63

CB1 binding score: -15.228

InChIKey:
DRBURNQOYUYOHK-UHFFFAOYSA-N

ID: 72146

SMILES:
C=C1CCCC(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.19

InChIKey:
XCEZXTVCEPYUGS-UHFFFAOYSA-N

ID: 72147

SMILES:
CC1(C)C2=C(C=C(CO)CC2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.608

InChIKey:
KSWOBKXTKVJGPJ-UHFFFAOYSA-N

ID: 72148

SMILES:
Cc1cc2c(cc1CCCCC)OC1(C)CCC3C(C)(C)C3C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.524

CB1 binding score: -15.341

InChIKey:
BJERAJKQCRIYHF-UHFFFAOYSA-N

ID: 72149

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.383

CB1 binding score: -21.105

InChIKey:
SVTKBAIRFMXQQF-UHFFFAOYSA-N

ID: 72150

SMILES:
C(=C(C)C)CCC1(C)C=Cc2c(OC)cc(CCC)c(C(OC)=O)c2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.3

InChIKey:
BHHZRVZNONJBGX-UHFFFAOYSA-N

ID: 72151

SMILES:
C(C1=C(O)C(=O)C2=C3OC(C)(C)C4C3C(CO)CCC4C2(C)C1=O)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.136

InChIKey:
MNVBOEZZVHWNRL-UHFFFAOYSA-N

ID: 72152

SMILES:
c1(CCCC)cc(O)c2c(c1)OC(C(C)(O)C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.338

CB1 binding score: -17.47

InChIKey:
GJTUSTFPHCMTJJ-UHFFFAOYSA-N

ID: 72153

SMILES:
CC1=CCC(C)C2(C)OC1c1c(cc(CCCCCO)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.546

InChIKey:
JUAQKJHIKPOREN-UHFFFAOYSA-N

ID: 72154

SMILES:
C(C1CC2CC=C(C)C3C2(CCC3(C)C)c2c(cc(CCCCC)cc2O)O1)CC(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.668

CB1 binding score: -16.438

InChIKey:
FHBOSAQXYCGHNX-UHFFFAOYSA-N

ID: 72155

SMILES:
C(c1c(O)c2c(cc1OC)OC(C)(C)C1CC(O)C(C)C=C21)CCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.73

InChIKey:
YORTUHMHUSDRPX-UHFFFAOYSA-N

ID: 72156

SMILES:
C1(OC(C)=O)CC(C)=CCC2C(C)(C)Oc3cc(CCCC)c(O)c3c2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.167

InChIKey:
SWBFSTSUATXTRK-UHFFFAOYSA-N

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72136–72156 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