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Molecule Identifiers
Molecular Properties

ID: 118798

SMILES:
C1c2c(cc(CCCCC)cc2O)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -18.796

InChIKey:
BFFUWWHIAIGFJU-UHFFFAOYSA-N

ID: 118799

SMILES:
C1(CCC2(C)Oc3c(c(O)cc(C)c3)C=C2)C(C)(C)OC(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.724

InChIKey:
ALTNCTDCJXOZPX-UHFFFAOYSA-N

ID: 118800

SMILES:
C12=C(C(=O)C(CCO)=CC1=O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.604

InChIKey:
YGOPEESHBGJXAO-UHFFFAOYSA-N

ID: 118801

SMILES:
C1(C)(C)C2(C)CCC1c1c(O)cc(CCCCC)cc1C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.459

CB1 binding score: -16.115

InChIKey:
VGHALCOJBBGPJJ-UHFFFAOYSA-N

ID: 118802

SMILES:
C(CCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 118803

SMILES:
C12CCC(C)(O)C=C3C(C(C)(C)Oc4cc(CCCCC)cc(O)c43)C1CC(=C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -13.036

InChIKey:
CTWZZPKZFWRTEO-UHFFFAOYSA-N

ID: 118804

SMILES:
O(c1cc2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.982

InChIKey:
GLUWKBFJPNDEDK-UHFFFAOYSA-N

ID: 118805

SMILES:
C(C)CCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 118806

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C1CC1C(CCCC1(C)C)C2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -14.271

InChIKey:
RZQDVBZZBSPXMA-UHFFFAOYSA-N

ID: 118807

SMILES:
C(CCc1cc(Oc2cc(OC)c3c(c2)C2C(CCC(C)=C2)C(C)(C)O3)c(O)c(C)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -16.373

InChIKey:
AYQSDGXQQZIRDM-UHFFFAOYSA-N

ID: 118808

SMILES:
OC1Oc2cc(CCCCCC)cc(O)c2C1(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.186

InChIKey:
MNZSQVVWCCYZQC-UHFFFAOYSA-N

ID: 118809

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.324

CB1 binding score: -15.526

InChIKey:
JPBGZFBYPBSCDC-UHFFFAOYSA-N

ID: 118810

SMILES:
CC(C1CCC(C)=CC1c1cc(CCCCC)cc(O)c1O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.819

InChIKey:
RZMKUSQJYZLTNA-UHFFFAOYSA-N

ID: 118811

SMILES:
C(c1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 118812

SMILES:
C(=C(C)C)CCC(=CC1Oc2cc(CCCCC)cc(O)c2C1C(=C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.306

InChIKey:
HYBDSAVEQVECGZ-UHFFFAOYSA-N

ID: 118813

SMILES:
C(=CCC)Cc1cc2c(c(O)c1)C1C(CC=C(C)C1O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.971

InChIKey:
PYOLGDNROQBLIU-UHFFFAOYSA-N

ID: 118814

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 118815

SMILES:
CC(=C)C1C(c2c(O)cc(Br)cc2O)C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 323.23

CB1 binding score: -17.342

InChIKey:
NXKAKZZDJLSBSI-UHFFFAOYSA-N

ID: 118816

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: 118817

SMILES:
O(c1c(CC=C(C)CCC=C(C)C)c(O)cc(CCC(=O)O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 332.44

CB1 binding score: -16.86

InChIKey:
BHKRHVQBBSPKHV-UHFFFAOYSA-N

ID: 118818

SMILES:
OCc1cc(CC=C(C)C)c2ccc3c(c2c1)C1C(CCC(C)=C1)C(C)(C)O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.54

CB1 binding score: -14.904

InChIKey:
UHQGCNUKRRFCSV-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