Browse

Molecule Identifiers
Molecular Properties

ID: 124174

SMILES:
CC1C2CC=C(C(O)=O)CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -14.36

InChIKey:
GZHBYTSYGPVXPE-UHFFFAOYSA-N

ID: 124175

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1CC(O)(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 124176

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -15.754

InChIKey:
PQWAEUHAZWHLNJ-UHFFFAOYSA-N

ID: 124177

SMILES:
CC1(C)Oc2cc(CCCC)cc(O)c2C2C=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 124178

SMILES:
Oc1c(C(=O)C(C)CC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.339

InChIKey:
ZJVAIHMYYNBZON-UHFFFAOYSA-N

ID: 124179

SMILES:
O=c1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.428

InChIKey:
BQQFJDLQOHAVNL-UHFFFAOYSA-N

ID: 124180

SMILES:
C1(C(=O)CC2(C)Oc3cc(O)cc(C)c3C=C2)(C)C(=C(C)C)CCC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -15.633

InChIKey:
UHLGLUMCXVVDQG-UHFFFAOYSA-N

ID: 124181

SMILES:
c1(=O)c2c(c(O)c(O)c(C(O)=CCCC(=C)C)c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.499

CB1 binding score: -15.673

InChIKey:
LBRZHOLLBISEDA-UHFFFAOYSA-N

ID: 124182

SMILES:
c1(OC)c(C2C(C(=O)O)C(C)=CCCC2(C)C)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -14.654

InChIKey:
UQAOCYRPUSELSM-UHFFFAOYSA-N

ID: 124183

SMILES:
O1C2C(C(C(=O)OC)=C1)Oc1cc(CCCCC)cc(O)c1C2C(CC=C(C)C)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.498

CB1 binding score: -14.605

InChIKey:
JUDBIKIOGUMQQU-UHFFFAOYSA-N

ID: 124184

SMILES:
C1CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C=C1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -20.344

InChIKey:
ZELUXPWDPVXUEI-UHFFFAOYSA-N

ID: 124185

SMILES:
C1(C(C)C)C(c2c(O)cc(O)cc2CC=C(C)C)CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.519

InChIKey:
QRIUNPQZYFJTSP-UHFFFAOYSA-N

ID: 124186

SMILES:
C1(O)C2CC(c3c(O)cc(CCC)cc3OC2(C)C)C(=O)C(O)C1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.438

CB1 binding score: -15.306

InChIKey:
ZXTIMDGCZRZJMZ-UHFFFAOYSA-N

ID: 124187

SMILES:
C(C=C(C)CCC12C(C)(CCCC1(C)C)O2)c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -14.386

InChIKey:
ZLUMTJGDVIDGSS-UHFFFAOYSA-N

ID: 124188

SMILES:
C12c3c(O)cc(CCCCC)cc3OC1CC(C)C(CCC1=CC(=O)OC1)(C)C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -14.808

InChIKey:
QVZDXFDFCZBFAU-UHFFFAOYSA-N

ID: 124189

SMILES:
c12c(O)cc(O)c(O)c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -17.407

InChIKey:
MEBXQXVNQKNBGL-UHFFFAOYSA-N

ID: 124190

SMILES:
C(C)(C)=CCOc1cc(O)cc(O)c1C1C(C(=C)C)CCC(CO)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.821

InChIKey:
CPIVDESVTHQETQ-UHFFFAOYSA-N

ID: 124191

SMILES:
Oc1cc(C)c(C2C(C(C)=C)CCC(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.175

InChIKey:
GJXWWWKLUZSVGM-UHFFFAOYSA-N

ID: 124192

SMILES:
CCCCCc1cc2c(c(O)c1)OC(C)(C)C1CC(O)C(C(O)=O)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.158

InChIKey:
MWXCSTWLJUBLGT-UHFFFAOYSA-N

ID: 124193

SMILES:
CC(C1=CCC(C)CC1c1c(O)cc(CCCCC)cc1O)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.995

InChIKey:
LHLICFIVOBVHOL-UHFFFAOYSA-N

ID: 124194

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)c-1c2)CCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.41

CB1 binding score: -16.109

InChIKey:
KKRZFCQRTWLTFV-UHFFFAOYSA-N

◀5911591259135914591559165917▶
124174–124194 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