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Molecule Identifiers
Molecular Properties

ID: 137929

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.712

InChIKey:
SBLQFIJJHXJVBQ-UHFFFAOYSA-N

ID: 137930

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -18.27

InChIKey:
ZUQCMPHHZKRZRV-UHFFFAOYSA-N

ID: 137931

SMILES:
O=CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.053

InChIKey:
HQRKNUDGMPVIMO-UHFFFAOYSA-N

ID: 137932

SMILES:
C1(=O)CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C2C(C)(O)CCC2C(=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -14.789

InChIKey:
XQSRFTCDFLVRGO-UHFFFAOYSA-N

ID: 137933

SMILES:
C12C(C)(C)C(OC3CC4C(C(=O)O)(C3(C)C)C(=O)C=C4C)C1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.617

CB1 binding score: Not available

InChIKey:
YVASKFYUBKUCTI-UHFFFAOYSA-N

ID: 137934

SMILES:
CC1(C)Oc2c(CCCCC)cc(OC)c(O)c2C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.513

InChIKey:
JHSRGQDUAFYNHM-UHFFFAOYSA-N

ID: 137935

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(=O)C(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 137936

SMILES:
C(C)(=O)OC1(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -18.697

InChIKey:
NWHMAUOECOGBFN-UHFFFAOYSA-N

ID: 137937

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)=C1CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.562

CB1 binding score: -17.355

InChIKey:
PMKFHSXWMNLLKE-UHFFFAOYSA-N

ID: 137938

SMILES:
C1(=C)C(OC)CC2C1C1C(O1)C(C)(C)Oc1cc(CCCCC)cc(c1)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -13.311

InChIKey:
KFGIZLXHSARHST-UHFFFAOYSA-N

ID: 137939

SMILES:
C12CCC3(C)CC1c1cc(CCCCC)cc(c12)OC(C)(C)C(O)CCC3(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -12.507

InChIKey:
IJFYFAPZGZGMHV-UHFFFAOYSA-N

ID: 137940

SMILES:
O1C(C)(C)C(O)C(O)CC1C12c3c(OC)cc(CCC)cc3OC(C)(C)C1CCC(CO)=CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 488.621

CB1 binding score: -13.311

InChIKey:
PRHOPGVXKTZWKW-UHFFFAOYSA-N

ID: 137941

SMILES:
C(CCCc1ccc2c(c1)OC(C)(C)C1C2CC(CO)=CC1=O)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.26

InChIKey:
ZOHIFNWYRMYTKF-UHFFFAOYSA-N

ID: 137942

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 137943

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 137944

SMILES:
CNCc1cc(O)c(C2C=C(CO)CCC2C(C)=C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 287.403

CB1 binding score: -14.125

InChIKey:
DJNJGWOLWCLRNO-UHFFFAOYSA-N

ID: 137945

SMILES:
c1(O)c(C2=CCCC(C(=O)O)C2)c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -16.842

InChIKey:
SBDJQCFYSXHRHB-UHFFFAOYSA-N

ID: 137946

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 137947

SMILES:
O=C(OC1CC(C)=CC2c3c(O)cc(CCC)cc3OC(C)(C)C12)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: Not available

InChIKey:
GBAVFRCIZYUYJA-UHFFFAOYSA-N

ID: 137948

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(OC)c3C1C(=O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.356

InChIKey:
PINFKOUAWLVGRA-UHFFFAOYSA-N

ID: 137949

SMILES:
C1(CO)(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.324

InChIKey:
XJQGJMWBRJUISE-UHFFFAOYSA-N

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137929–137949 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