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Molecule Identifiers
Molecular Properties

ID: 124762

SMILES:
C(CCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 124763

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C)(CCC=C(C)C)CC=C(C=O)C(=O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -15.902

InChIKey:
FAECAWREZGCHOZ-UHFFFAOYSA-N

ID: 124764

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.499

InChIKey:
NPEPNDPCOPWVRR-UHFFFAOYSA-N

ID: 124765

SMILES:
C(C)(=O)CC(CC(CCC=C(C)C)(c1cc(O)c2c(c1)OC(C)(C)C=C2)C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -15.172

InChIKey:
AHSOBCPZSCAZNW-UHFFFAOYSA-N

ID: 124766

SMILES:
c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 124767

SMILES:
C12C(O)C(C)(C)C1CCC1C2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.878

InChIKey:
XRIBVPBIJALNTH-UHFFFAOYSA-N

ID: 124768

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 124769

SMILES:
C(CCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 124770

SMILES:
C1CC(O)C(CCC(C(C)(C)O)O)(C)OOC1c1ccc(O)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.415

CB1 binding score: -12.037

InChIKey:
LBJAKLUGSDJBQK-UHFFFAOYSA-N

ID: 124771

SMILES:
CC1(C)Oc2c(c(O)c(C(=O)O)c(CCCCC)c2)C1CCc1ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -11.482

InChIKey:
GKHHRNASZSLQHQ-UHFFFAOYSA-N

ID: 124772

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -16.179

InChIKey:
ABEWTQQDVRBMMF-UHFFFAOYSA-N

ID: 124773

SMILES:
CC1(C)C2CC(=O)C(C)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 124774

SMILES:
C(CCCC)CCC(OC1C(C)=CC2c3ccc(CC=Cc4ccc(OCC=C(C)C)cc4)cc3OC(C)(C)C2C1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 570.814

CB1 binding score: -16.578

InChIKey:
CECMDOOXVRAVJS-UHFFFAOYSA-N

ID: 124775

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.052

InChIKey:
MMEWFWWQGITDLK-UHFFFAOYSA-N

ID: 124776

SMILES:
c1(O)cc(CCCCC)c(C(=O)O)c2c1C=CC(C)(CCC=C(C)CCC=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -17.162

InChIKey:
PGVJJUPQKXOMLX-UHFFFAOYSA-N

ID: 124777

SMILES:
C1(=C)CCC(O)C(C)(C)Oc2cc(CCCCC)cc(O)c2C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.272

InChIKey:
DUUZSSOFVXREQG-UHFFFAOYSA-N

ID: 124778

SMILES:
C1=C(C)CC2C(C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 124779

SMILES:
Cc1c(C2C=C(C)CCC2C(C)=C)cc(O)c(C(C(CCC)C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.346

InChIKey:
CHZAUNZSAYOKRA-UHFFFAOYSA-N

ID: 124780

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.687

InChIKey:
RGXKCMQANRHRCO-UHFFFAOYSA-N

ID: 124781

SMILES:
CC12Oc3cc(CCCCC)cc(O)c3C(C(C)(C)C1)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.635

InChIKey:
MSKPNNVSQWCFJW-UHFFFAOYSA-N

ID: 124782

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(O)C=CC=CC(=O)OC(C(C)(C)C1=O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.471

CB1 binding score: -15.115

InChIKey:
NPRVBMWSXWXJGY-UHFFFAOYSA-N

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124762–124782 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