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Molecule Identifiers
Molecular Properties

ID: 120268

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.925

InChIKey:
GMULKAYYPCUAMC-UHFFFAOYSA-N

ID: 120269

SMILES:
C(OC(=O)C1CCC(C(CO)(O)C)C2c3c(O)cc(CCCCC)cc3OC21)C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.502

CB1 binding score: -14.533

InChIKey:
VVDAJLNURMSOEB-UHFFFAOYSA-N

ID: 120270

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -17.209

InChIKey:
VPDBCGRUZCACNK-UHFFFAOYSA-N

ID: 120271

SMILES:
c1(OCC2C(C(C)=C)CCC2(C)O)c(O)cc(C)cc1-c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -9.673

InChIKey:
XGFXOVFGRBMTIB-UHFFFAOYSA-N

ID: 120272

SMILES:
C(c1cc(C2C=C(C)CCC2C(C)=CO)c(O)cc1)=CC(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -15.278

InChIKey:
HPXLNRNCLSPGMP-UHFFFAOYSA-N

ID: 120273

SMILES:
C(CCCC)c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 120274

SMILES:
c1(O)cc(C)c(C2C(C(C)=C)C(c3c(O)cc(CCCCC)cc3O)CC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -14.934

InChIKey:
YYQXEXUNKRVAKE-UHFFFAOYSA-N

ID: 120275

SMILES:
C12C(C)(CC3(C)C(=O)C=C(C(C)C)C1Cc1c(O)cc(CCC)cc1O3)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -14.142

InChIKey:
VGTHZKKOPDYYIK-UHFFFAOYSA-N

ID: 120276

SMILES:
CC1(O)C=CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.25

InChIKey:
PGZISGZFEFJPOZ-UHFFFAOYSA-N

ID: 120277

SMILES:
CC1(C)C2C3C(C)(Oc4c(cc(C(=O)OCCc5cc(OC)c(O)c(OC)c5)cc4OC)C3C=C(C)CCC=C(C)CC2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 606.756

CB1 binding score: -16.23

InChIKey:
JRJFYICELVBPCY-UHFFFAOYSA-N

ID: 120278

SMILES:
C1(c2cccc(O)c2OC)Oc2c(c(O)cc(C(C)(C)CCCCCCCCCCCCCCCC)c2)C2CC(C)CCC12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 606.932

CB1 binding score: -13.678

InChIKey:
UJXYGLHPHIUXLU-UHFFFAOYSA-N

ID: 120279

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -15.385

InChIKey:
TWNOMYXXZPZZBQ-UHFFFAOYSA-N

ID: 120280

SMILES:
O1C(C2OC(C(C)(C(=O)CC=C(C)C)C)O2)CC=C(C)C1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.649

CB1 binding score: -15.398

InChIKey:
MZDNEFKDTDAUDU-UHFFFAOYSA-N

ID: 120281

SMILES:
C1(CO)(C=C)Cc2c(cc(C)cc2O)OC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -10.933

InChIKey:
LBAJXCGEJOMPEP-UHFFFAOYSA-N

ID: 120282

SMILES:
C(=Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C(Cl)=C(Cl)Cl

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 399.745

CB1 binding score: -13.677

InChIKey:
YNMNGLMBQPXKSA-UHFFFAOYSA-N

ID: 120283

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.72

InChIKey:
MRWXCLDGBJQAHZ-UHFFFAOYSA-N

ID: 120284

SMILES:
C1=C(C)CC2C(C1)c1c(cc(CCCCC)cc1O)OC2C=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.303

InChIKey:
LNEXCYUGQJRSBM-UHFFFAOYSA-N

ID: 120285

SMILES:
C1(C)(C)C2CC=C(C(O)=O)CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.707

InChIKey:
OGXXAQFMAFTSRU-UHFFFAOYSA-N

ID: 120286

SMILES:
CC(C1C(O)(c2cc(CCCCC)cc(O)c2)C=C(C)CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.036

InChIKey:
HOTPGVJPBMPSJM-UHFFFAOYSA-N

ID: 120287

SMILES:
C12=CC(C(C(=C)C)Cc3c(O)cc(CCCC)cc3O)OC1(C)CC=CC(C)(C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -13.223

InChIKey:
RTAQYGXSMFZASZ-UHFFFAOYSA-N

ID: 120288

SMILES:
OC1C(c2c(O)ccc(CCCCC)c2)C(C(CO)=C)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.306

InChIKey:
PLUMJEFQNLDSEI-UHFFFAOYSA-N

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120268–120288 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