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Molecule Identifiers
Molecular Properties

ID: 107920

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 107921

SMILES:
C(C)(C)Cc1c(O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.527

InChIKey:
RNNOAWXGGMTMGX-UHFFFAOYSA-N

ID: 107922

SMILES:
C(C)(C(C(c1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)O)=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -12.662

InChIKey:
QYTYSPCSNLQKFO-UHFFFAOYSA-N

ID: 107923

SMILES:
O1c2cc(CCCCC)cc(O)c2C2(C(C=C)(C)CCC2C(C)=C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -12.024

InChIKey:
GDHNFRUSLMSDPQ-UHFFFAOYSA-N

ID: 107924

SMILES:
c1c2c(cc(O)c1)C1C(CC(=O)C1C)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.306

CB1 binding score: -15.772

InChIKey:
PHMIGULBZKWKAK-UHFFFAOYSA-N

ID: 107925

SMILES:
C1CC(C(C)=C)C(c2c(O)ccc(CCCN)c2)C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 285.431

CB1 binding score: -15.615

InChIKey:
NLQANYZTUAAIQH-UHFFFAOYSA-N

ID: 107926

SMILES:
C(CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -17.142

InChIKey:
VWYLGEZEOMKOAY-UHFFFAOYSA-N

ID: 107927

SMILES:
C1C(C(O)(C)C)C(c2c(O)cc(CCCCC)cc2)CC(C=O)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.475

InChIKey:
AUUSPKGCECEWHX-UHFFFAOYSA-N

ID: 107928

SMILES:
Oc1cc(OC)cc(OC)c1C1C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -18.651

InChIKey:
RBOIQFDUPWFAHT-UHFFFAOYSA-N

ID: 107929

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.528

CB1 binding score: -18.443

InChIKey:
PTFGJZNGSFTTFC-UHFFFAOYSA-N

ID: 107930

SMILES:
c1(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 107931

SMILES:
C1(C(C)C)CC2C(C)=CC1c1c(O)cc(CCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -13.421

InChIKey:
CDZPMYZMDQCGFW-UHFFFAOYSA-N

ID: 107932

SMILES:
C1(C(CCC=C(C)C)(C)O)C(c2c(O)cc(C)cc2O)CO1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -15.933

InChIKey:
REKFUWMQHGLYGL-UHFFFAOYSA-N

ID: 107933

SMILES:
c1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 107934

SMILES:
C(C1=C(C)CC(C(C)(C)O)CC1)(C)(CCc1c(C)c(Cl)c(C)c(OC)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 393.011

CB1 binding score: -15.252

InChIKey:
DOTAMJWYUHJEQI-UHFFFAOYSA-N

ID: 107935

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -18.957

InChIKey:
MTBKFELEBUQONK-UHFFFAOYSA-N

ID: 107936

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1O)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -18.579

InChIKey:
OYJXIBXDIWVTLP-UHFFFAOYSA-N

ID: 107937

SMILES:
c1(C2=C(O)CC(C)(C)C2O)c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -14.337

InChIKey:
GLAZFQPDNTWQPL-UHFFFAOYSA-N

ID: 107938

SMILES:
C1(=C)C2C(CC(C)CC2)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.317

InChIKey:
RNOZCWSWZKXVOL-UHFFFAOYSA-N

ID: 107939

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -14.382

InChIKey:
AEQJSLAVTPLUBW-UHFFFAOYSA-N

ID: 107940

SMILES:
C(Cc1c(C)c2c(cc1OC)CC(Br)C(C)(C)O2)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 355.316

CB1 binding score: -14.041

InChIKey:
QBMAOAJBKBVYSE-UHFFFAOYSA-N

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107920–107940 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