Browse

Molecule Identifiers
Molecular Properties

ID: 70183

SMILES:
CC1(C)C2C13C(=CC(=O)O2)C1(C)CC(c2c(O)cc(C)cc2O1)C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.392

CB1 binding score: -14.327

InChIKey:
ZURGADKFVGRDHA-UHFFFAOYSA-N

ID: 70184

SMILES:
CCCCCc1cc2c(c(O)c1)C1C3OC3(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.791

InChIKey:
VSQGBNUBIDZRPJ-UHFFFAOYSA-N

ID: 70185

SMILES:
c1(O)c(C(C)C)ccc(C)c1Oc1c(CC=C(C)C)c(O)cc2c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.657

CB1 binding score: -14.996

InChIKey:
LEVXFNQGZHNYOI-UHFFFAOYSA-N

ID: 70186

SMILES:
CC1(C)C2(O)CC3(O)OC(O)(C(O)(O1)C2)C31COc2cc(CCCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.501

CB1 binding score: -13.399

InChIKey:
CNLDWQKBHYPMNV-UHFFFAOYSA-N

ID: 70187

SMILES:
O=C1CC(OC)(C)C2=C3C(C(O)C12C)c1c(cc(CCCCC)cc1O)OC3=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.471

CB1 binding score: -14.767

InChIKey:
XJQCWDIBHDGQIR-UHFFFAOYSA-N

ID: 70188

SMILES:
C(CCCCC)Cc1cc(O)c2c(c1)OCC1C2CC(O)C(O)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -17.679

InChIKey:
QRCAGKZNXOPHTJ-UHFFFAOYSA-N

ID: 70189

SMILES:
c1(C)c2c(c(O)c(C(C(C)C)OC)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.248

InChIKey:
YFSXGVWMYMRXBM-UHFFFAOYSA-N

ID: 70190

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.868

InChIKey:
CJHDLPIPPSHNLG-UHFFFAOYSA-N

ID: 70191

SMILES:
C1C(C(CO)O)(C)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.391

CB1 binding score: -14.488

InChIKey:
WNTZJLFZMCJUTJ-UHFFFAOYSA-N

ID: 70192

SMILES:
C(=CCCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -15.233

InChIKey:
BXYGLFSWTZHPGF-UHFFFAOYSA-N

ID: 70193

SMILES:
CCOC1OC2=C(C(c3cc(O)ccc3O)=O)C(=O)C13CC(CCC(O)(C)C)=C(C)C3CC(O)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.614

CB1 binding score: -14.431

InChIKey:
OSBMJIJSALWVNO-UHFFFAOYSA-N

ID: 70194

SMILES:
c12c(O)ccc(CCCCC)c1OC(C)(CCC=C(C)CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -17.119

InChIKey:
MZPLUWCUCVDXBZ-UHFFFAOYSA-N

ID: 70195

SMILES:
C(c1c(O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(CC(O)CC(C=O)=C1)O)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.502

CB1 binding score: -15.977

InChIKey:
VJWFCFCWACSMLO-UHFFFAOYSA-N

ID: 70196

SMILES:
C1(C)=C(C(CC)C)C(=O)C2=C(C1=O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.036

InChIKey:
XMLKQJYULHGOTH-UHFFFAOYSA-N

ID: 70197

SMILES:
C(CC(C1Cc2c(O)cc(CCC)cc2O1)C)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.035

InChIKey:
IHWLBQZDUTXUFH-UHFFFAOYSA-N

ID: 70198

SMILES:
O(c1c2c(cc(C)c1)OC(C)(C)C1CCC(=C)C21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -15.288

InChIKey:
PJSVDZPVETVHEL-UHFFFAOYSA-N

ID: 70199

SMILES:
C12(C)C3C(O)C4c5c(cc(OC(=O)CCC)cc5)OC(C)(C)C4CC3OC(C)(C)C1CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.65

CB1 binding score: -12.161

InChIKey:
JTKGBQQCWQISDP-UHFFFAOYSA-N

ID: 70200

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.362

InChIKey:
IWYXCKZODFAJCU-UHFFFAOYSA-N

ID: 70201

SMILES:
CC1(C)OC(=O)CC(OC(C)=O)C1(C)C1CCC(=C)c2c(O)c(O)c(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.568

CB1 binding score: -16.671

InChIKey:
DFMIMYXVWMOSGL-UHFFFAOYSA-N

ID: 70202

SMILES:
C12C(c3c(O)cc(CCC)cc3OC1(C)C)OC(C(O)(C)CCC=C(CCC=C(C)C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.667

CB1 binding score: -16.623

InChIKey:
HQAAXXSZPIJVGW-UHFFFAOYSA-N

ID: 70203

SMILES:
C1(C)(C)Oc2c(c3c(c(CCCCC)c2)OCO3)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -13.418

InChIKey:
PTSPIVUPZLXCPA-UHFFFAOYSA-N

3340334133423343334433453346
70183–70203 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