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Molecule Identifiers
Molecular Properties

ID: 118840

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -12.662

InChIKey:
BXAVLGFBJXRHIG-UHFFFAOYSA-N

ID: 118841

SMILES:
C1C(C)=CC2c3c(O)c(C=O)c(CCCCC)cc3OC2(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.491

InChIKey:
LOEGNCDNTNSNRE-UHFFFAOYSA-N

ID: 118842

SMILES:
C1(C(=O)O)CCC(C(C)C)C2c3c(O)cc(CCCCC)cc3OC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.943

InChIKey:
HDPPJRRMBCAKEN-UHFFFAOYSA-N

ID: 118843

SMILES:
C1C(O)C(C)C2(Cc3c(O)cc(C)cc3O2)C(C)=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -11.859

InChIKey:
WJYTYNCKVJBOEJ-UHFFFAOYSA-N

ID: 118844

SMILES:
C12C(CCC(C)=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 118845

SMILES:
c1(C2C=C(C)CCC2C(=C)C)c(O)ccc2c1CN(CCCCC)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 353.506

CB1 binding score: -15.369

InChIKey:
DPZLKUFHKQHRRC-UHFFFAOYSA-N

ID: 118846

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 118847

SMILES:
c1(O)c(CC=C(C)C)c(C2C=C(C)CC(c3c(O)cc(CC=C(C)C)c(C(=O)C(CC)C)c3O2)C)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 586.857

CB1 binding score: -12.451

InChIKey:
RJXOXWMXPYVVBM-UHFFFAOYSA-N

ID: 118848

SMILES:
CC(C)=CCCC(C)=CCc1c(O)cc(CCCCC)cc1OC(CCC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -18.329

InChIKey:
JOSDFRZDBFWFQC-UHFFFAOYSA-N

ID: 118849

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 118850

SMILES:
C(CCC1(C)Oc2cc(O)cc(C)c2CC1CC=C(C)C)(C(C)=C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.874

InChIKey:
NAJSKIUTGUABCE-UHFFFAOYSA-N

ID: 118851

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 118852

SMILES:
C(OC)(c1cc(C2C(C(C)=C)CCC(C)=C2)c(O)cc1OC)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -15.506

InChIKey:
FOUDCOGPIFCYBP-UHFFFAOYSA-N

ID: 118853

SMILES:
Oc1cc2c(c(OC)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.527

InChIKey:
QGMOAJVZFIQWPU-UHFFFAOYSA-N

ID: 118854

SMILES:
c1c(CCCCC)c(C=O)c(O)c2c1OC1(C)CCC(C(C)=C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.989

InChIKey:
BHNALZPPOYABTB-UHFFFAOYSA-N

ID: 118855

SMILES:
c1(OC)c(C2C(C(C)=C)CCC(c3ccc(O)cc3)C2)ccc(CCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.556

CB1 binding score: -12.531

InChIKey:
FSIPGIRJIHVAAY-UHFFFAOYSA-N

ID: 118856

SMILES:
c1(Cc2c(C)cco2)cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -15.013

InChIKey:
ONPJHRXZXPCBEM-UHFFFAOYSA-N

ID: 118857

SMILES:
CC(=CCCC(C)=CCc1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 118858

SMILES:
C1(C)(O)C(O)C2C(CC1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -17.772

InChIKey:
RTJWXHVSJRYRJJ-UHFFFAOYSA-N

ID: 118859

SMILES:
c1(C2C(C(=C)C)CCC(C)=C2)cc(=O)c(OC)ccc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -14.378

InChIKey:
HPHGKEGYYMSVPP-UHFFFAOYSA-N

ID: 118860

SMILES:
C1C23C(C)(CCC(=O)OC2(c2c(O)cc(CCCCC)cc2O)OC3(C)C)C(C)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.584

CB1 binding score: -15.67

InChIKey:
CEXYFKDSPSPIHW-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