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Molecule Identifiers
Molecular Properties

ID: 76105

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -14.526

InChIKey:
KDYHBXVHSGJDNF-UHFFFAOYSA-N

ID: 76106

SMILES:
OC1C(C)=CC2C(C(C)(C)Oc3c(O)ccc(O)c32)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -15.828

InChIKey:
WOXWZLPIWYMKNU-UHFFFAOYSA-N

ID: 76107

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=CCC(C)(C)OC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.993

InChIKey:
BFMOEYMNSZWTLE-UHFFFAOYSA-N

ID: 76108

SMILES:
CC(CC(=O)OCc1c2c(c(O)c3c1C=CC(C)(C)O3)OC(C)(C)C1C2CC(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -14.93

InChIKey:
PIEGGVURNHYNDC-UHFFFAOYSA-N

ID: 76109

SMILES:
c1c(O)c2c(cc1CCCCC)OC(CCC1=C(C)CCCC1(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -17.334

InChIKey:
YHXQUKOWCPNRJA-UHFFFAOYSA-N

ID: 76110

SMILES:
c1(-c2c(O)cc(CCCCC)c(C(C(C)CC)=O)c2O)cc(O)c(C2C=C(CO)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.682

CB1 binding score: -17.201

InChIKey:
XPJMPBBETNYYDK-UHFFFAOYSA-N

ID: 76111

SMILES:
c1(C=CC(OCC(C)=CC)=O)cc(OC)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -14.554

InChIKey:
KWJRWWWSNUYLPH-UHFFFAOYSA-N

ID: 76112

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 76113

SMILES:
c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.189

InChIKey:
AIOSXAOKGBOYPS-UHFFFAOYSA-N

ID: 76114

SMILES:
C(CCc1cc(C2C=C(C)CCC2C(=C)C)c(O)c(C(O)=O)c1C)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -16.519

InChIKey:
VWBZOMDUXAJIRJ-UHFFFAOYSA-N

ID: 76115

SMILES:
C1=C(C)CCC2C1c1c(cc(C)c(Br)c1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 337.257

CB1 binding score: -17.596

InChIKey:
CMFSVCZTLAQKRJ-UHFFFAOYSA-N

ID: 76116

SMILES:
c1(O)cc2c(c(C)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.409

InChIKey:
BJMZVRMKKMPCLN-UHFFFAOYSA-N

ID: 76117

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: 76118

SMILES:
CC(C)=CCc1c(O)cc2c(c1OC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.635

InChIKey:
FGXFGJAVMQASTG-UHFFFAOYSA-N

ID: 76119

SMILES:
C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)COC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.562

InChIKey:
DCDHQYPNLDJFOH-UHFFFAOYSA-N

ID: 76120

SMILES:
O=C(OC1(C)CCC(C(=C)C)C1c1c(OC)ccc(CCCCC)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.782

InChIKey:
YLRXYNOFSVRIPN-UHFFFAOYSA-N

ID: 76121

SMILES:
C(CCCC)Cc1cc(O)c2c(c1O)C1C(C(=C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.851

InChIKey:
LUSCMUOJPRRNMI-UHFFFAOYSA-N

ID: 76122

SMILES:
C1(C)(C)Oc2c(cccc2)C2C1CCC(C)=CCCC(C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.454

CB1 binding score: -15.867

InChIKey:
JWOYSKUYEJUDDX-UHFFFAOYSA-N

ID: 76123

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 76124

SMILES:
C1=CC2(C)Oc3c(c(O)cc(CCC)c3)C2C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.345

CB1 binding score: -12.607

InChIKey:
QGWOEZFPQHSUJD-UHFFFAOYSA-N

ID: 76125

SMILES:
c12c(O)ccc(CCCCC)c1OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.502

InChIKey:
XYORNOGHCPNLOD-UHFFFAOYSA-N

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76105–76125 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