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Molecule Identifiers
Molecular Properties

ID: 141268

SMILES:
O=C1C2C(CCC=C(C)C)(C)Oc3cc(CCCCC)cc(O)c3C2C2C(CCl)(CCC2C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 487.124

CB1 binding score: -15.76

InChIKey:
IPBNDIVVZDFEDZ-UHFFFAOYSA-N

ID: 141269

SMILES:
C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 141270

SMILES:
C(c1c(C2C=C(CO)CCC2C(C)=C)c(O)cc(C)c1)CC(=O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -14.152

InChIKey:
OXRWTHXEJBIREB-UHFFFAOYSA-N

ID: 141271

SMILES:
C1(C)=CCC(C(C)=CCCC(=CCc2c(O)c(C)cc(OC)c2)C)OC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -13.666

InChIKey:
GXOVHLTXQYIZJF-UHFFFAOYSA-N

ID: 141272

SMILES:
c1c(O)c(C2C(C(C)C)CCC(C)=C2)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 141273

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C3C(C1C(C)(C)OC3(C)C)CCC2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.519

InChIKey:
WTZWOHZSCCGZCX-UHFFFAOYSA-N

ID: 141274

SMILES:
C12C(CO)CCC1C(C)(C)Oc1c2c2c(cc1)OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.354

InChIKey:
NRDSBFHKWXCCRX-UHFFFAOYSA-N

ID: 141275

SMILES:
CC1(CC=CC(O)(C)C)C2CCC(C)=CC2c2c1cc(CCCC(C)C)cc2O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -15.069

InChIKey:
PLHKKDGLFPUKMN-UHFFFAOYSA-N

ID: 141276

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.453

InChIKey:
WLURLOGOXWMPGA-UHFFFAOYSA-N

ID: 141277

SMILES:
c12c(cc(CCC)cc1O)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 141278

SMILES:
C1(C)=CC(C)(C)C2Cc3c(OC)cc(CCCCC)cc3OC2(C)C=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -16.509

InChIKey:
ABFJZWPAPJPRKI-UHFFFAOYSA-N

ID: 141279

SMILES:
C(C1(C)C=Cc2c(O)cc(CCCCC)cc2O1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 141280

SMILES:
c1(CCC)cc(O)c(C2C(C(C)=C)CCC(CO)=C2)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -15.013

InChIKey:
JYVRZXLKDVEEKU-UHFFFAOYSA-N

ID: 141281

SMILES:
C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(O)(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.168

InChIKey:
BMEOABJGGIYLGA-UHFFFAOYSA-N

ID: 141282

SMILES:
c1(CCCCC)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.605

CB1 binding score: -16.354

InChIKey:
RTNZTRYPAOTRSP-UHFFFAOYSA-N

ID: 141283

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.903

InChIKey:
ZFEWEXWLGJAQOP-UHFFFAOYSA-N

ID: 141284

SMILES:
C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 141285

SMILES:
c1c(CCCC)cc(O)c(CC=C(CCC=C(C)C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -20.03

InChIKey:
LXMICYYYVWWGAM-UHFFFAOYSA-N

ID: 141286

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 141287

SMILES:
C1C2(C)Oc3cc(CCCC)cc(O)c3C3CC(C)(C12)CCC3C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -16.322

InChIKey:
VJTAARDUFRYFCY-UHFFFAOYSA-N

ID: 141288

SMILES:
c1(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCCC)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.957

InChIKey:
OANGEIYPAQYPQV-UHFFFAOYSA-N

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141268–141288 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