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Molecule Identifiers
Molecular Properties

ID: 104917

SMILES:
C1(O)C(C)=CC(c2c(OC)cc(CCCCC)cc2OC)C(C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -19.065

InChIKey:
BFJQFUSTVUHSNX-UHFFFAOYSA-N

ID: 104918

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(OC)cc(CCCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.077

InChIKey:
ZIKXLTXYADKTKX-UHFFFAOYSA-N

ID: 104919

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.915

InChIKey:
LNEDOGQBWSHVNR-UHFFFAOYSA-N

ID: 104920

SMILES:
C(CCc1cc(O)c2c(c1)C=CC(C)(C)O2)C(C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.37

InChIKey:
RBKBTNNCSLRSIX-UHFFFAOYSA-N

ID: 104921

SMILES:
c1(C)c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.465

CB1 binding score: -18.16

InChIKey:
MFLSNUUVRWUBJF-UHFFFAOYSA-N

ID: 104922

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -18.767

InChIKey:
OGCCABVUOZBTQV-UHFFFAOYSA-N

ID: 104923

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 104924

SMILES:
CC1CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.143

InChIKey:
CIVSDEYXXUHBPV-UHFFFAOYSA-N

ID: 104925

SMILES:
C1C2(C)C(OC)Oc3cc(CCCCC)cc(O)c3C2C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.01

InChIKey:
RYHZWBJWWUFRMV-UHFFFAOYSA-N

ID: 104926

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)oc(=O)c3C(=O)CC(C)=CC12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -16.42

InChIKey:
PQZFYOAOOJHNSG-UHFFFAOYSA-N

ID: 104927

SMILES:
C1C(C(C)CCC=C(C)C)c2c1c(O)cc(CCCCC)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -13.551

InChIKey:
NAUOIUNXUOENIG-UHFFFAOYSA-N

ID: 104928

SMILES:
C(CCCCC)c1cc2c(c(O)c1)C1CC(=C2CC2(C)CCCC2(C)C)C(=O)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.718

CB1 binding score: -14.835

InChIKey:
MMVGDGUZFUTDGS-UHFFFAOYSA-N

ID: 104929

SMILES:
CC(OC1C(CCC=C(C)C)(C)Oc2c(c(O)cc(CCC)c2)C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -17.297

InChIKey:
QGUBJRDTDBUYRX-UHFFFAOYSA-N

ID: 104930

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(OO)C=C12)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.929

InChIKey:
LIWNKEUXXUUYQV-UHFFFAOYSA-N

ID: 104931

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C(=O)CCC1(C)OC2CCC(C)(O)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.601

CB1 binding score: -14.754

InChIKey:
ZDPALIGXZYSRBV-UHFFFAOYSA-N

ID: 104932

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(=C)C(=O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -14.902

InChIKey:
XRHJJIHVCHWIDM-UHFFFAOYSA-N

ID: 104933

SMILES:
c1(CC(C)=O)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -13.593

InChIKey:
IRZHSOSDKRCKRK-UHFFFAOYSA-N

ID: 104934

SMILES:
C1(C)(C)C2C(O2)(c2c(O)cc(CCCCC)cc2OC)CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: Not available

InChIKey:
WNRWCUCTASEBMX-UHFFFAOYSA-N

ID: 104935

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -14.68

InChIKey:
ZKKLGQFJIIVVCL-UHFFFAOYSA-N

ID: 104936

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C1C1(C)CCC(C(C)(C)O)OC1CCC2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -15.929

InChIKey:
VBHLEHDRKJHYDZ-UHFFFAOYSA-N

ID: 104937

SMILES:
OC1C(O)C(C)OC(Oc2c(O)c(C)cc3c2C2=C(CCC(C)(C)O2)c2c(O)cc(CCCCC)cc2O3)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 556.652

CB1 binding score: -14.737

InChIKey:
HFLGXTKCWIWEKV-UHFFFAOYSA-N

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104917–104937 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