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Molecule Identifiers
Molecular Properties

ID: 102901

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -13.16

InChIKey:
WNYNGVJKUHBBFN-UHFFFAOYSA-N

ID: 102902

SMILES:
C12C(c3c(O)cc(C)cc3OC13C(CO)CCC3C(C)=C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -14.871

InChIKey:
HUXOZOBYQZIVMJ-UHFFFAOYSA-N

ID: 102903

SMILES:
C12(C)C=CCC(C)(C)Oc3c(CCCCC)cc(O)cc3C1CC1C(O)(CC(=O)C1=C)C2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.635

CB1 binding score: -13.941

InChIKey:
ZQULCEFRKZYCRM-UHFFFAOYSA-N

ID: 102904

SMILES:
c1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 102905

SMILES:
c1c(O)cc(C)c(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 102906

SMILES:
c1(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 102907

SMILES:
c1c(C)cc2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.037

InChIKey:
TWNNHTGNOPUEHO-UHFFFAOYSA-N

ID: 102908

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.383

CB1 binding score: -21.105

InChIKey:
SVTKBAIRFMXQQF-UHFFFAOYSA-N

ID: 102909

SMILES:
CC(O)C(C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -12.205

InChIKey:
XXKVKEUWBLAYAC-UHFFFAOYSA-N

ID: 102910

SMILES:
C1=C(C)CC2c3c(cc(CCCCCC)cc3O)OC(C1)C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.532

InChIKey:
VKEKPAGWBBOLLJ-UHFFFAOYSA-N

ID: 102911

SMILES:
C(CCCCCc1cc2c(c(O)c1)C1C(C(C)=C)OC(C)(OC1=O)CC2)CSCCCSCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 546.839

CB1 binding score: -16.558

InChIKey:
UYBNCCSZEKBQFY-UHFFFAOYSA-N

ID: 102912

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 102913

SMILES:
c1cc(C23C(C)(C)OOC4(Oc5c(cc(O)cc5C)O4)C2CCC(C)C3C=C(C)C)cc2c1OC(C)(CCC(O)O)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 580.718

CB1 binding score: -12.869

InChIKey:
JOXUWARLSNHHIY-UHFFFAOYSA-N

ID: 102914

SMILES:
C1C(C(C)(O)C)C(c2c(CCCCC)cc(CCC(O)CCCC)cc2OC)CC(C(O)=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.698

CB1 binding score: -16.302

InChIKey:
BUVUWMGDAFVOGU-UHFFFAOYSA-N

ID: 102915

SMILES:
c1(CC(C)(O)C2=CC(=O)C(C)(C)O2)c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -14.411

InChIKey:
SQWSYFCRDIFULU-UHFFFAOYSA-N

ID: 102916

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.247

InChIKey:
IJXLDZIYGDHKBA-UHFFFAOYSA-N

ID: 102917

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 102918

SMILES:
C1=C(C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 102919

SMILES:
CC1(C)C2(O)C(C(OC)=C(C)CC2)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.288

InChIKey:
QOWHCPCYIRCASM-UHFFFAOYSA-N

ID: 102920

SMILES:
C(CCCC)Cc1cc2c(c(O)c1)C1CC(=C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.168

InChIKey:
OGQUFUKUTFQVAV-UHFFFAOYSA-N

ID: 102921

SMILES:
CC(c1c(O)c(O)c2c(c1)OC(C)(C)C1C2CC(C(OC)=O)=CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -12.011

InChIKey:
FNYPJYDAQBGGPR-UHFFFAOYSA-N

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102901–102921 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