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Molecule Identifiers
Molecular Properties

ID: 131944

SMILES:
Oc1c(CC(C(C)(C)O)O)c2c(cc1OC)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -13.79

InChIKey:
SMXNQGORGNXQOZ-UHFFFAOYSA-N

ID: 131945

SMILES:
C=C1C(O)CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.941

InChIKey:
YRXPGUPXVCGYGF-UHFFFAOYSA-N

ID: 131946

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.696

InChIKey:
HYNYRWBHLSVRRM-UHFFFAOYSA-N

ID: 131947

SMILES:
C1(O)=C2c3c(O)cc(C)cc3OC(C)(CCC=C(C)C)C2CC(C(C)=C)C1C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -15.916

InChIKey:
GGPPGRVTTAQRQL-UHFFFAOYSA-N

ID: 131948

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 131949

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)CC1)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.92

InChIKey:
ASSRIDAUQKXTTG-UHFFFAOYSA-N

ID: 131950

SMILES:
C(C1CCc2c(c(C)c(C)cc2O)OC1(C)C)CC1(C)Oc2c(ccc(C)c2)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 394.555

CB1 binding score: -14.066

InChIKey:
GYFNPUOZMYOMMF-UHFFFAOYSA-N

ID: 131951

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 131952

SMILES:
C1(C)(CCc2c(O)cc(CCCCC)cc2)CCC(O)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.5

CB1 binding score: -14.767

InChIKey:
QDYKYHLFZJOIAX-UHFFFAOYSA-N

ID: 131953

SMILES:
Cc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -16.789

InChIKey:
NUKHFQFTDCRHSF-UHFFFAOYSA-N

ID: 131954

SMILES:
CC1(C)C2CC(OC)C(C)=CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.205

InChIKey:
QAWCIBCYLJVBNS-UHFFFAOYSA-N

ID: 131955

SMILES:
C1CC2(C)Oc3ccc(C)c(CCCC)c3CC2=C(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -15.748

InChIKey:
KVCXAKRKXIERHQ-UHFFFAOYSA-N

ID: 131956

SMILES:
C1(C)=CCC2C(C1)c1c(O)c(OC)c(CCCCC)cc1OC(C)(C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -16.025

InChIKey:
FFCGPDWLMBNQQZ-UHFFFAOYSA-N

ID: 131957

SMILES:
O1c2c(c(O)cc(CCCCCC)c2)C2C1(C)CCC1C(Cc3cc(O)ccc3O)(C)C(C)CCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.727

CB1 binding score: -15.265

InChIKey:
RIFSUSYOAJTAGQ-UHFFFAOYSA-N

ID: 131958

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 131959

SMILES:
c1(O)c(OCC=C(C)C)cc2c(c1CCCCC)OC(C)(C)C2CCC1(C)CCCC(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.694

CB1 binding score: -15.929

InChIKey:
VWVHBVYBGFHWHL-UHFFFAOYSA-N

ID: 131960

SMILES:
c1c2c(cc(O)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -18.541

InChIKey:
DXDRGIVLXHOGHC-UHFFFAOYSA-N

ID: 131961

SMILES:
C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C3(O)C=C(C)C(=O)C2C3C(C)(CCC=C(C)C)C2=C1C(O)=C(CC)C(=O)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 602.768

CB1 binding score: -15.292

InChIKey:
MCBFWZRTTDLGGL-UHFFFAOYSA-N

ID: 131962

SMILES:
c1c(CCCCC)cc2c(c1O)C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 131963

SMILES:
O(CCOc1c(CCCCC)cc2c(c1)OC(C)(C)C1CC=C(C)CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -13.918

InChIKey:
GBNKAMHOCMPIMB-UHFFFAOYSA-N

ID: 131964

SMILES:
c1(C)cc(O)c(O)c2c1-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -14.406

InChIKey:
WRKIDZCPLVMGLO-UHFFFAOYSA-N

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131944–131964 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