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Molecule Identifiers
Molecular Properties

ID: 83203

SMILES:
OS(Oc1c(CCCCC)cc2c(c1O)C1C(CCC(CO)=C1)C(C)(C)O2)C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.614

CB1 binding score: -16.561

InChIKey:
CGKTWBTZZVNVBB-UHFFFAOYSA-N

ID: 83204

SMILES:
N(CCOc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C(=O)O)CC21)C(C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 443.628

CB1 binding score: -16.655

InChIKey:
PYOZETSGIRAKKJ-UHFFFAOYSA-N

ID: 83205

SMILES:
c1c(CCCC)cc(O)c2c1OC1(C)C(CCC(C)=CCC(C(C)=C)CC1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -14.813

InChIKey:
BFIPGGQDUYABCX-UHFFFAOYSA-N

ID: 83206

SMILES:
C(C(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 83207

SMILES:
c1c(C2c3c(occ3C)CC(C)C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -11.752

InChIKey:
WXTBGAFVYOLMCK-UHFFFAOYSA-N

ID: 83208

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -13.665

InChIKey:
UOVSEGNTYQLPRO-UHFFFAOYSA-N

ID: 83209

SMILES:
c1(O)c(CCC)cc2c(c1O)C1=C(C(C)(C)O2)CCC(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.004

InChIKey:
ANMJHVYTLZNPNF-UHFFFAOYSA-N

ID: 83210

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1OC(C)(C)C(CC1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.824

InChIKey:
VJVISCMVBXGKEH-UHFFFAOYSA-N

ID: 83211

SMILES:
CC1=CC(c2ccc(CCCC)cc2)C(C(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.46

CB1 binding score: -18.171

InChIKey:
QBUIJIADVGCWQN-UHFFFAOYSA-N

ID: 83212

SMILES:
C1C2C1C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -14.811

InChIKey:
ZJGNZQPDYIPRHI-UHFFFAOYSA-N

ID: 83213

SMILES:
C1(=C(C)c2c(O)cc(CCCCC)cc2O)CCC=C(C)C1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.549

InChIKey:
SRWYUWVLYOLFBN-UHFFFAOYSA-N

ID: 83214

SMILES:
c12c(cc(O)cc1)OC(C)(C)C1C2CC(C)=CCC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -14.212

InChIKey:
SURLZXYDOHIKQA-UHFFFAOYSA-N

ID: 83215

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2CC(C)CCC2C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.171

InChIKey:
SENXQCRJSFSPPN-UHFFFAOYSA-N

ID: 83216

SMILES:
CC(C)=CCCC1(C)C=Cc2c(O)cc(CCC)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

ID: 83217

SMILES:
CC1=CC2C(C(C)(C)Oc3c(c(OC(C)=O)cc(CCCCC)c3)C2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -16.679

InChIKey:
UBNCVTSNATVUQJ-UHFFFAOYSA-N

ID: 83218

SMILES:
C1C(C(=C)C)C(c2ccc(CCCCC)cc2)CC(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.487

CB1 binding score: -18.061

InChIKey:
DESJARXNHPEZEM-UHFFFAOYSA-N

ID: 83219

SMILES:
C1(=O)C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 83220

SMILES:
OC(C)(c1cc2c(c3c1OC(CCC=C(C)C)(C)C=C3)OC(C)(C)C1C2C=C(C)C(O)C1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.635

CB1 binding score: -14.041

InChIKey:
QAEMXTQVIDQJFP-UHFFFAOYSA-N

ID: 83221

SMILES:
CCCCCc1cc2c3c(c1)C1C(C(=C)C)CCC(C)C1CCC3(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.562

CB1 binding score: -13.827

InChIKey:
MYDRRFIKNOKZSF-UHFFFAOYSA-N

ID: 83222

SMILES:
Oc1c2c(c(Cl)c(O)c1)OC(CCC=C(C)C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.897

CB1 binding score: -14.29

InChIKey:
QZELMZJWPOORSQ-UHFFFAOYSA-N

ID: 83223

SMILES:
CC1=CCC2C(C)(C)Oc3cc(OC)cc(C)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.027

InChIKey:
SYHXFXAJPMYJCS-UHFFFAOYSA-N

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83203–83223 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