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Molecule Identifiers
Molecular Properties

ID: 124195

SMILES:
c1(O)cc(CC)cc2c1C=CC(C)(CCC=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.588

InChIKey:
JZEQHRTZXSCBRS-UHFFFAOYSA-N

ID: 124196

SMILES:
C(c1c(O)cc(C)c(C2C(C(=C)C)CCC(C)=C2)c1O)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.1

InChIKey:
QAORJLQISGXLTC-UHFFFAOYSA-N

ID: 124197

SMILES:
C12C(CCC1=C)C(C)(C)Oc1c2c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.877

InChIKey:
ZLUWZIBAKLEDRY-UHFFFAOYSA-N

ID: 124198

SMILES:
C1(=C)C2(C)CCC(CO)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -13.078

InChIKey:
UEBYDMYXWAAWJM-UHFFFAOYSA-N

ID: 124199

SMILES:
C12=C3C(C)(Oc4cc(C)cc(O)c4C3CO1)CC(=O)C(C(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -14.696

InChIKey:
CXPJJVQFSOJUQH-UHFFFAOYSA-N

ID: 124200

SMILES:
c12cc(CCCCC)cc(OC)c1C1CC(C)(C)Oc3c(cc(O)cc3)C1CC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -10.75

InChIKey:
ADOFKDDQBICVLW-UHFFFAOYSA-N

ID: 124201

SMILES:
C(CCCCCCc1cc(OC)c(C2C(C(C)=C)CC(O)C(C)C2)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.619

CB1 binding score: -15.101

InChIKey:
OLZRVJAUOSYCEJ-UHFFFAOYSA-N

ID: 124202

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 124203

SMILES:
C1(C(C)C)=CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.949

InChIKey:
FZEZRVFOAQSQNI-UHFFFAOYSA-N

ID: 124204

SMILES:
OCC1C=C(CC(CCC=C(C)C)(C)O)C(=O)C2=C1OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -14.175

InChIKey:
HTQOPHQKUKUPKZ-UHFFFAOYSA-N

ID: 124205

SMILES:
O(C1CC(C)(C)Oc2cc(CCC)c(C(O)=O)cc21)C(CC(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -16.871

InChIKey:
QECKAPSPGWRTAG-UHFFFAOYSA-N

ID: 124206

SMILES:
C1C(C(=C)C)C(c2c(O)c(CCCCC)cc(O)c2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.334

InChIKey:
MIGNDUNKEMOGGL-UHFFFAOYSA-N

ID: 124207

SMILES:
C1(C)=CCC2C(C1)c1c(cc(CCCCC)cc1OC(CCC)=O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -15.658

InChIKey:
YTNUOHNHDKAHLS-UHFFFAOYSA-N

ID: 124208

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 124209

SMILES:
c1(C2CC=C(C)C(C(CC)C)=C2)c(O)cc(CCC(CC)O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.344

InChIKey:
OXNYUDAOHXBXGW-UHFFFAOYSA-N

ID: 124210

SMILES:
C(C1CCC2(C)Oc3c(c(O)cc(C)c3)C12)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.929

InChIKey:
AILAUCVERIXYNS-UHFFFAOYSA-N

ID: 124211

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 124212

SMILES:
C(C1CC2NC(=N)NC2C(O)C2=Nc3c(O)cc(CCCCC)cc3OC(C)(C)C12)(O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.532

CB1 binding score: -16.002

InChIKey:
AUUVWUTYLBIJCA-UHFFFAOYSA-N

ID: 124213

SMILES:
O(C(=O)CCCCC)c1cc(CCCCCC)cc2c1C1C(C(C)=CCC1C(=C)C)C(OC(C)=O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.716

CB1 binding score: -13.62

InChIKey:
QYUHRIJOINZKMH-UHFFFAOYSA-N

ID: 124214

SMILES:
C(c1c(CC2C(C)(C)O2)c(OC)cc2c1CC(O)C(C)(C)O2)CN

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 335.444

CB1 binding score: -12.167

InChIKey:
ZXNWZBJKUBNFFS-UHFFFAOYSA-N

ID: 124215

SMILES:
C1(C)=CC2c3c(cc(CCc4ccc(O)cc4)cc3O)OC(C)(C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -16.83

InChIKey:
PBEGVXRRRZSVOL-UHFFFAOYSA-N

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124195–124215 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