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Molecule Identifiers
Molecular Properties

ID: 50926

SMILES:
Oc1cc(CCCC)cc2c1C1(C)CC(OC(C(C)=CC)=O)C(C)(CC1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.751

InChIKey:
VSWFWLNDPPUHET-UHFFFAOYSA-N

ID: 50927

SMILES:
CCCCCc1cc(O)c2c(c1)OC1(C)C3CC(C3)C(C)(C)OC21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.915

InChIKey:
HFEBGMKOUWFCSH-UHFFFAOYSA-N

ID: 50928

SMILES:
C(O)(c1c(O)c(CC=C(CCC=C(C)C)C)c(O)cc1CCCCC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 50929

SMILES:
C1CC(=C)C2C(CCC(C)=C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -18.356

InChIKey:
ZJPTYFKSUONYDF-UHFFFAOYSA-N

ID: 50930

SMILES:
C(C)(C(=O)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.533

InChIKey:
WBQIXLBOKIRDIY-UHFFFAOYSA-N

ID: 50931

SMILES:
C(CC)(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.36

InChIKey:
REFMNIJDMMHSLG-UHFFFAOYSA-N

ID: 50932

SMILES:
CC1(C)C(=O)C(CC2(C)CCC(c3cc(O)cc(CCCCC)c3)O2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.903

InChIKey:
CRGGKJUWOBHQAX-UHFFFAOYSA-N

ID: 50933

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCCC)c2)C2C1CCC1(C)C(O1)CCC(=C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -13.024

InChIKey:
ROICSJTZPHXKIA-UHFFFAOYSA-N

ID: 50934

SMILES:
C1CC(C(OC)=O)=CC2c3c(c(O)cc(C)c3)OC(C)(C)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -15.463

InChIKey:
NNQOUKSMHFLMST-UHFFFAOYSA-N

ID: 50935

SMILES:
COc1cc2c(cc1CCCCC)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.522

InChIKey:
ZKEVJOWMGAJOFL-UHFFFAOYSA-N

ID: 50936

SMILES:
C12(C)Oc3c(c(O)cc(CCCCC)c3)C(O)(C1=O)C(C)(C)C(=O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -15.087

InChIKey:
JDIQBRLCAUZYCA-UHFFFAOYSA-N

ID: 50937

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 50938

SMILES:
C(C)C(C(=O)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.393

InChIKey:
QOGIZIKVPXCHSX-UHFFFAOYSA-N

ID: 50939

SMILES:
C(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 50940

SMILES:
C1CCC2(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C3CC(C)(CC2)C31

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.929

InChIKey:
FSUQFOVMBNXSPB-UHFFFAOYSA-N

ID: 50941

SMILES:
C1C(O)CCC(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.419

CB1 binding score: -14.642

InChIKey:
APIFSBDRPPODHY-UHFFFAOYSA-N

ID: 50942

SMILES:
c1(O)cc(CCCCC)cc(O)c1C1(O)C(C)(O)CC2C(C2(C)C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.052

InChIKey:
ZSUINXJODIBVJP-UHFFFAOYSA-N

ID: 50943

SMILES:
Oc1c2c(cc(CCCC)c1)OC(C)(C1CC=C(CBr)CC1)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 393.365

CB1 binding score: -14.145

InChIKey:
DORSHRLEAFMDDR-UHFFFAOYSA-N

ID: 50944

SMILES:
c1c(CCCC)cc(O)c(C2C=C(C)CCC2(O)CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -14.173

InChIKey:
QPKRVZXRVVXKCG-UHFFFAOYSA-N

ID: 50945

SMILES:
C1CC2C(C)(C)Oc3c(c(OC(=O)C)cc(CCCC)c3O)C2C1=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.91

InChIKey:
USPCTIXQQKLODA-UHFFFAOYSA-N

ID: 50946

SMILES:
Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

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50926–50946 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