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Molecule Identifiers
Molecular Properties

ID: 103909

SMILES:
c12c(O)ccc(O)c1C1C(C(C)(C)O2)CCC(CO)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -16.344

InChIKey:
LJGCVIBASUHQIH-UHFFFAOYSA-N

ID: 103910

SMILES:
C(CC(O)C(OC)(C)C)C1(C)C=Cc2c(O)cc(C)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -16.568

InChIKey:
VOMOMPBQYPKYQA-UHFFFAOYSA-N

ID: 103911

SMILES:
C1(c2c(O)cc(CCCCC)cc2OCO)C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.728

InChIKey:
PYGWQCSAVYJNPK-UHFFFAOYSA-N

ID: 103912

SMILES:
Oc1c(CC=C(CCC=C(C)CO)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.663

InChIKey:
JNGJGHFJBFPWRL-UHFFFAOYSA-N

ID: 103913

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.419

InChIKey:
LCOAHZVRYALSPK-UHFFFAOYSA-N

ID: 103914

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(C(O)CC(CC)C)c(O)c1)(C)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -16.648

InChIKey:
MQRPRCKWYDORSI-UHFFFAOYSA-N

ID: 103915

SMILES:
C(CCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(C=O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.527

InChIKey:
JAZQFVAZPZBBQJ-UHFFFAOYSA-N

ID: 103916

SMILES:
C1CC(C)=CC(c2c(O)cc(CCCCC)cc2OC)C1=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.752

InChIKey:
JYJPXDDUJQGEJO-UHFFFAOYSA-N

ID: 103917

SMILES:
C1(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 103918

SMILES:
C12C(C(C)(O)CC1)c1cc(CCCCC)cc(O)c1C2C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.502

InChIKey:
YNYXAULBBNDNNW-UHFFFAOYSA-N

ID: 103919

SMILES:
c12c(c(O)cc(CCCCC)c1)C1=C(C(O)OC1CC=C(C)C)CC(Cl)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 435.004

CB1 binding score: -14.667

InChIKey:
RDJIRHQYDMFLBY-UHFFFAOYSA-N

ID: 103920

SMILES:
C1=CC2(C)Oc3cc(C)cc(O)c3C2C1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.318

CB1 binding score: -16.154

InChIKey:
NRVJTVYOSRZVHH-UHFFFAOYSA-N

ID: 103921

SMILES:
c1c2c(cc(CCCCC)c1C(O)=O)OC1(C)C2CC(C(C)C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.378

InChIKey:
QHNHGXICPDOQCL-UHFFFAOYSA-N

ID: 103922

SMILES:
c1(CC)cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.585

InChIKey:
DNTBFILTGOCICF-UHFFFAOYSA-N

ID: 103923

SMILES:
C(Cc1cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C(O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17.19

InChIKey:
SPUSIVZTXSWVAC-UHFFFAOYSA-N

ID: 103924

SMILES:
C1(C(C)C)=CCC(C)CC1Oc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -14.882

InChIKey:
CDVGCGWISPQGEV-UHFFFAOYSA-N

ID: 103925

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(O)C(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 103926

SMILES:
Oc1c(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 356.55

CB1 binding score: -18.934

InChIKey:
LDZQKZLPWVBJOB-UHFFFAOYSA-N

ID: 103927

SMILES:
c12c(c(O)cc(O)c1C1CC(C)=CCC1C(C)=C)OCO2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -15.56

InChIKey:
IVEHORTUCGZACV-UHFFFAOYSA-N

ID: 103928

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 103929

SMILES:
C1CC(C(=C)C)C(c2c(O)c(CCCCC)cc(O)c2)C1C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.929

InChIKey:
MOWTXPFSBPXHRX-UHFFFAOYSA-N

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103909–103929 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