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Molecule Identifiers
Molecular Properties

ID: 132217

SMILES:
c1c(OC)ccc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -20.527

InChIKey:
OMIDBQNIZTZCJZ-UHFFFAOYSA-N

ID: 132218

SMILES:
C12CCC(CCC(CO)=CC)=CC1C(=O)OC2(CO)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 280.364

CB1 binding score: -16.698

InChIKey:
FKFWKKGHLSKCRY-UHFFFAOYSA-N

ID: 132219

SMILES:
Oc1c(C)cc(O)cc1C1C(C(=C)C)CCC(CO)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -15.689

InChIKey:
RNOBWNPODZKISH-UHFFFAOYSA-N

ID: 132220

SMILES:
C(Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)CC(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.705

InChIKey:
SUGOAGAHNWWCIT-UHFFFAOYSA-N

ID: 132221

SMILES:
Oc1cc(C)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 132222

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.199

InChIKey:
XHVMGTABSJNKAC-UHFFFAOYSA-N

ID: 132223

SMILES:
c1cc2c(o1)CC(CCC=C(C)C)(C)Oc1cc(CCCCC)ccc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -15.172

InChIKey:
JEFYJXKLQAZEQQ-UHFFFAOYSA-N

ID: 132224

SMILES:
C(c1cc(O)c(C2(O)CC(C)CCC2C(C)C)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.473

CB1 binding score: -15.494

InChIKey:
UWHLBDCLQCOXSO-UHFFFAOYSA-N

ID: 132225

SMILES:
c1(NCC=C(C)CO)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 415.618

CB1 binding score: -14.617

InChIKey:
YETAYBZTIOWLAA-UHFFFAOYSA-N

ID: 132226

SMILES:
c1c(O)c(C2C(C(C)C)CCC(C)=C2)c(O)cc1CCCCO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.356

InChIKey:
CZIJCDBAABZKRT-UHFFFAOYSA-N

ID: 132227

SMILES:
O=C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -17.577

InChIKey:
BBQUQOFZSYHTBC-UHFFFAOYSA-N

ID: 132228

SMILES:
C12C(C)(C)Oc3c(c(OC)c(CCC)cc3OCC1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.127

InChIKey:
RCEFEFFSFKDFGU-UHFFFAOYSA-N

ID: 132229

SMILES:
CC1=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 132230

SMILES:
C1C(C=C(C)C)Oc2c(c(O)cc(CCCCC)c2)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.293

InChIKey:
YWWNXERPZHMYBW-UHFFFAOYSA-N

ID: 132231

SMILES:
C1(C)=CC(c2c(O)cc(O)cc2CCC)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.327

InChIKey:
CDGOSXHOMFZLSF-UHFFFAOYSA-N

ID: 132232

SMILES:
C(CC1(C)Oc2cc(CCCCC)cc(O)c2C=C1)C(C(C)(C)O)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -17.027

InChIKey:
OUTRGWXEUFFSJT-UHFFFAOYSA-N

ID: 132233

SMILES:
C1(C)CCC2(O)Cc3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.502

InChIKey:
UJOUADPMNLXRDN-UHFFFAOYSA-N

ID: 132234

SMILES:
C1(O)C2(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC(C1(C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -12.906

InChIKey:
ZHWBIGXHSUVHRI-UHFFFAOYSA-N

ID: 132235

SMILES:
C1C2(O)OCC(C)(O1)C2CCC(=CCc1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -14.656

InChIKey:
JCOZASQLYKJDGO-UHFFFAOYSA-N

ID: 132236

SMILES:
c1c(O)cc2c(c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.06

InChIKey:
MRZJHEGWWJZQHV-UHFFFAOYSA-N

ID: 132237

SMILES:
C(CCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: Not available

InChIKey:
FHKJPVVOGGAGAA-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties