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Molecule Identifiers
Molecular Properties

ID: 116173

SMILES:
c12c(c(O)c(OC)cc1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.996

InChIKey:
YOJXVRSBFALZPJ-UHFFFAOYSA-N

ID: 116174

SMILES:
C1CC(C(C)=C)C(c2c1cc(CCCC)cc2OC(C)=O)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.525

InChIKey:
FCIAOLQECGGISX-UHFFFAOYSA-N

ID: 116175

SMILES:
CC(C1CCC(C)=CC1c1c(O)ccc(O)c1)=CC(=O)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -16.614

InChIKey:
JOMIDETVLQDCOM-UHFFFAOYSA-N

ID: 116176

SMILES:
C1(C)CCC(C(=C)C)C1c1c(OC)cc(CC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -15.287

InChIKey:
ONBAIFYONWQHQW-UHFFFAOYSA-N

ID: 116177

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: 116178

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 116179

SMILES:
C1C(C)=CC2c3c(O)cc(CCCCC)c(O)c3OC2(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -13.941

InChIKey:
CVYSHUGRDJEYPS-UHFFFAOYSA-N

ID: 116180

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 116181

SMILES:
C(CCCC)Cc1cc(O)c(C2C=C(C)CCC2(CC=C(C)C)C(=O)C(C)C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.642

CB1 binding score: -15.29

InChIKey:
FNAYKSYXORQWHR-UHFFFAOYSA-N

ID: 116182

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 116183

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 116184

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -14.792

InChIKey:
DKJFVWXSHHSSIZ-UHFFFAOYSA-N

ID: 116185

SMILES:
c12c(c(OC)cc(CCCCC)c1)C1C(=O)CC(C)(C)OC1(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.228

InChIKey:
RFADSUBEVBFYKA-UHFFFAOYSA-N

ID: 116186

SMILES:
c1(OC)c(OC)c(C2(C(CC)C)OC(C)(C)CC2)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.554

CB1 binding score: -15.269

InChIKey:
QTSUFSLNMUMWCM-UHFFFAOYSA-N

ID: 116187

SMILES:
C1(=O)CC2C(C)(C)OC=C(C)C1C1(C)CC(C3=CC(=O)C(C)(C)O3)=CC1(O)C2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.471

CB1 binding score: -13.749

InChIKey:
DEQRXALGYXGQGH-UHFFFAOYSA-N

ID: 116188

SMILES:
c1c(CCCCC)cc(O)c(C2C(C)(C)CCCC2C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.475

CB1 binding score: -12.742

InChIKey:
MVKGXSNZIDJOLL-UHFFFAOYSA-N

ID: 116189

SMILES:
CC(C1=CCC(C)CC1c1c(CCCCC)cc(O)c(C(=O)CC(C)C)c1O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -15.939

InChIKey:
JFYIBZWODGNRKY-UHFFFAOYSA-N

ID: 116190

SMILES:
O=CC(=CCc1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -17.46

InChIKey:
QONUXTCBXUBBPD-UHFFFAOYSA-N

ID: 116191

SMILES:
C1C2C3CC(OC1O)C2(C)Oc1cc(CCCCC)cc(O)c13

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -15.955

InChIKey:
UQMJUWWYRUJWOE-UHFFFAOYSA-N

ID: 116192

SMILES:
C(C=CCc1cc(O)c(CC=C(C)C)c(O)c1)=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -16.616

InChIKey:
ZYEGJCRYVFFMHV-UHFFFAOYSA-N

ID: 116193

SMILES:
C(C)(c1c(O)cc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.792

InChIKey:
XJNQCCLSLVYFNV-UHFFFAOYSA-N

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116173–116193 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