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Molecule Identifiers
Molecular Properties

ID: 118651

SMILES:
C(c1c(O)cc2c(c1)OC(C)(C)C1C2C=C(C)CC1)C=C(CCO)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.329

InChIKey:
IJFKRJVFPYWDPV-UHFFFAOYSA-N

ID: 118652

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C)C(OC(C)=O)CC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -18.006

InChIKey:
XYJKDCYABXRVLK-UHFFFAOYSA-N

ID: 118653

SMILES:
C1=C(C)CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 118654

SMILES:
C1(C)(O)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 118655

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 118656

SMILES:
C1(C=C2C(C)(C)C(C)CC3OC32C)c2c(cc(CCCCC)cc2O)OC1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -14.779

InChIKey:
YPMSSPSYLKGDKI-UHFFFAOYSA-N

ID: 118657

SMILES:
c1(O)cc2c(c(CCCC(=O)O)c1)CC1C(C(C)(C)O2)CCC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -17.867

InChIKey:
IHTLDGIZYGDBEL-UHFFFAOYSA-N

ID: 118658

SMILES:
C1CC(CO)=CC(c2c(O)cc(CCCCC)cc2O)C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -20.344

InChIKey:
ZELUXPWDPVXUEI-UHFFFAOYSA-N

ID: 118659

SMILES:
O=C1c2c(O)c(C(=O)OC)c(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.358

CB1 binding score: -16.575

InChIKey:
ZLXIRVOSDDDCSH-UHFFFAOYSA-N

ID: 118660

SMILES:
c12cc(ccc1O)OC(C)(C)C1CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -15.988

InChIKey:
UAYJMDGKBWIKPV-UHFFFAOYSA-N

ID: 118661

SMILES:
Oc1ccc2c(c1C(=O)CCC(C)(C)O)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.119

InChIKey:
QMEVHGCYCIOXFA-UHFFFAOYSA-N

ID: 118662

SMILES:
c1c(CCCCC)cc2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -17.649

InChIKey:
CBFJCKSFJPWQQA-UHFFFAOYSA-N

ID: 118663

SMILES:
C1(O)C(C)(C)Oc2cc(CCCCC)cc(OC)c2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -17.811

InChIKey:
XGUNHTRLRAWUSH-UHFFFAOYSA-N

ID: 118664

SMILES:
O=C(Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -19.106

InChIKey:
DEWSJDIJFWQLOA-UHFFFAOYSA-N

ID: 118665

SMILES:
C1C(C)=CC(c2c(O)cc(C)cc2-c2c(O)cc(CCCCC)cc2OC)C(C(C)C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -14.841

InChIKey:
JXGCYURVWFBODK-UHFFFAOYSA-N

ID: 118666

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.282

InChIKey:
CYXAQFLGANZUTR-UHFFFAOYSA-N

ID: 118667

SMILES:
c1c(Cc2cc(CCCCC)cc(C3CC(C(=C)C)CCC3C)c2O)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.691

CB1 binding score: -13.184

InChIKey:
MHJDJPPKVQWWBI-UHFFFAOYSA-N

ID: 118668

SMILES:
C1C(C(C)=C)C(c2c(OC)cc(CCCCCC)cc2OC)C=C(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.116

InChIKey:
NNAPRWROSDQKEX-UHFFFAOYSA-N

ID: 118669

SMILES:
Oc1c2c(cc(C)c1CCCCC)OC(C)(C)C1CC=C(C)C(=O)C21O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -14.605

InChIKey:
HYGHMSUKRZUAJQ-UHFFFAOYSA-N

ID: 118670

SMILES:
C1C(C(=O)O)(O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.374

CB1 binding score: -13.246

InChIKey:
SJFHCXCDACVECJ-UHFFFAOYSA-N

ID: 118671

SMILES:
C1=CC(C)(C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

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118651–118671 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