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Molecule Identifiers
Molecular Properties

ID: 67180

SMILES:
C1(C)=CC(c2c(OC)cc(OC)cc2)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.313

InChIKey:
UELGOYJTHIBECC-UHFFFAOYSA-N

ID: 67181

SMILES:
c12cc(CCCCC)cc(O)c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.779

InChIKey:
ZSDJPGLYWNHCIW-UHFFFAOYSA-N

ID: 67182

SMILES:
C12C(c3c(O)cc(CCCCC)cc3O1)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -16.85

InChIKey:
ZQIGSIAQRWUDLO-UHFFFAOYSA-N

ID: 67183

SMILES:
c1(CCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 67184

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C=CC1=C(C)CCCC1(C)C)O2)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -12.504

InChIKey:
ZJIRLZNNQKTTHQ-UHFFFAOYSA-N

ID: 67185

SMILES:
C(CCCC)Cc1cc2c(c(O)c1)C1C(C3(C)C(CC1=O)C(C)(C)C(=O)CC3)C(=O)C(C(C)C)=C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.672

CB1 binding score: -14.486

InChIKey:
AYRQHTWARPOKKW-UHFFFAOYSA-N

ID: 67186

SMILES:
CC(=O)CC(=O)c1c(O)c2c(cc1C)OC(C)(C)C1C2C=C(C(O)=O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.417

CB1 binding score: -15.748

InChIKey:
XLPANFUJSPCQKR-UHFFFAOYSA-N

ID: 67187

SMILES:
O=Cc1c(C=O)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.354

CB1 binding score: -15.535

InChIKey:
ZZPVOKQWJBUVGA-UHFFFAOYSA-N

ID: 67188

SMILES:
CC1(C)C2C3(c4c(c(CCCCC)cc(O)c4)OC2C(=O)OC)OCC3=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -13.999

InChIKey:
LSFKGXIKNADBFM-UHFFFAOYSA-N

ID: 67189

SMILES:
CC1=CC2C(CC1)C(C)(C)Oc1c2cc(OCC=C(CCC=C(C)C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -16.23

InChIKey:
MWVGSNUOJKPMOA-UHFFFAOYSA-N

ID: 67190

SMILES:
c1c(CCC)cc(O)c2c1OC1(C)C(C2)C(C(O)(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.502

InChIKey:
LUCDGYKTGYUJBU-UHFFFAOYSA-N

ID: 67191

SMILES:
C1C2(C(C)(O)C)CCC(C)=CC2c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -13.961

InChIKey:
GXJHSLLIGBJYBG-UHFFFAOYSA-N

ID: 67192

SMILES:
C1(C)CC=C(C)C(=O)C2(O)C1C(C)(C)Oc1c2c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.438

InChIKey:
WOKNAXZEUIXVSN-UHFFFAOYSA-N

ID: 67193

SMILES:
C1Oc2cc(CCCCC)cc(O)c2C1C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -15.609

InChIKey:
IMVVMMURDFHYMA-UHFFFAOYSA-N

ID: 67194

SMILES:
CC1(C)C2CC=C(C)CC2c2c(cccc2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.418

InChIKey:
UEUDZYHJJLDGIZ-UHFFFAOYSA-N

ID: 67195

SMILES:
C1C2(C(C(=O)O)C)CCC(=C)CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -13.875

InChIKey:
FAWZJERVPMMXRL-UHFFFAOYSA-N

ID: 67196

SMILES:
C1(C)CC(c2c(O)cc(CCCCC)cc2O)OC2C1C(=O)C(C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -13.638

InChIKey:
UTXZSJPIFVTITD-UHFFFAOYSA-N

ID: 67197

SMILES:
C(c1c(N)c(CCCC)cc2c1OC(C)(C)C1C2CC(C)=CC1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 369.593

CB1 binding score: -13.601

InChIKey:
NQDPQWQQELQGTM-UHFFFAOYSA-N

ID: 67198

SMILES:
C1=CC(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 67199

SMILES:
COc1c(C(=O)CC(C)C)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.702

InChIKey:
YQIKVSGWFYWPQH-UHFFFAOYSA-N

ID: 67200

SMILES:
CCCCCc1cc(O)c2c(c1O)C1=C(C(C)(C)OC(C)(C)C(O)C1)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.162

InChIKey:
YLHHWBQNCILJTF-UHFFFAOYSA-N

3197319831993200320132023203
67180–67200 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