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Molecule Identifiers
Molecular Properties

ID: 41224

SMILES:
Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.334

InChIKey:
QOLLWYZMIOIFBU-UHFFFAOYSA-N

ID: 41225

SMILES:
C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 41226

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C(OC)=O)CCC2C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -17.836

InChIKey:
NEJLDHYBFLFCFA-UHFFFAOYSA-N

ID: 41227

SMILES:
c1(CCCC)cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.479

InChIKey:
QHFVULIOBFWRAD-UHFFFAOYSA-N

ID: 41228

SMILES:
Oc1c(CCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.622

InChIKey:
VDBHLVDXYYWQMO-UHFFFAOYSA-N

ID: 41229

SMILES:
C1C(C)(O)C=C2C(C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.938

InChIKey:
XSAYPIHWDHADDS-UHFFFAOYSA-N

ID: 41230

SMILES:
Oc1cc(CC=C)cc2c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -18.957

InChIKey:
MTBKFELEBUQONK-UHFFFAOYSA-N

ID: 41231

SMILES:
c12c(cc(C(C)(C)CCCC(C)C)cc1)OC(C)(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.475

CB1 binding score: -15.588

InChIKey:
RJQNVNXUFINFMM-UHFFFAOYSA-N

ID: 41232

SMILES:
C1=C(C)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.485

InChIKey:
UOLFVTXVWQDBHF-UHFFFAOYSA-N

ID: 41233

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 41234

SMILES:
O=C(OC1C(C)(C)Oc2cc(CCCC)c(O)c(O)c21)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.347

CB1 binding score: -15.101

InChIKey:
FANBOHZXFUWAKG-UHFFFAOYSA-N

ID: 41235

SMILES:
C(CCCCc1cc(O)c(C2C(C(C)(C)O)CC=C(C)C2)c(CC=C(C)C)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.658

CB1 binding score: -17.078

InChIKey:
PMLLODFHZCESDK-UHFFFAOYSA-N

ID: 41236

SMILES:
Oc1cc(CCCC)cc2c1C1C3C(C(O2)CC3C)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.036

InChIKey:
VRSYYVFCLYVSPG-UHFFFAOYSA-N

ID: 41237

SMILES:
C1=C(C)CCC=C(C)CCC(OC(C)=O)C(C)(C)Oc2cc(CCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -16.679

InChIKey:
SESKHMDDHKFYAJ-UHFFFAOYSA-N

ID: 41238

SMILES:
CC(CCC=C(C)C)=CC(O)CC1(C)C2c3c(cc(CCCCC)cc3O)OC(CC1)C(O)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 498.748

CB1 binding score: -15.717

InChIKey:
QVZSEROJSXTDNU-UHFFFAOYSA-N

ID: 41239

SMILES:
CC1(C=CC=C(C)C)C2C3(C(C)(CC2)Oc2c(c(O)cc(CCCCC)c2)O3)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.652

CB1 binding score: -15.109

InChIKey:
UNJJSPAEDYJJOL-UHFFFAOYSA-N

ID: 41240

SMILES:
C(CC(=C)C=CCC1(C)C=Cc2cc(O)cc(C)c2O1)C1(C)CCC(=O)C(C)(C)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -11.745

InChIKey:
BRLYVWPVILYXBB-UHFFFAOYSA-N

ID: 41241

SMILES:
C(C1=C2OC(C)(C)c3ccc(C)c(c32)CC1)CCCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -16.212

InChIKey:
VADJOIIUMFEQIX-UHFFFAOYSA-N

ID: 41242

SMILES:
C(=CCc1c(O)cc(CCCCC)cc1O)(C)C#CC1=C(C)CC(O)CC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -13.048

InChIKey:
XARRMDSQAMRULJ-UHFFFAOYSA-N

ID: 41243

SMILES:
C(C)C(O)Cc1cc2c(c(O)c1)C1CC(C)(O2)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -13.941

InChIKey:
ASZGCUWADUQYSA-UHFFFAOYSA-N

ID: 41244

SMILES:
c12cc(CCCCC)ccc1OC(C)(C)C1=C(C(C)CC1)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -12.246

InChIKey:
AGLCUAYGLOLBDP-UHFFFAOYSA-N

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Molecule Overview

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