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Molecule Identifiers
Molecular Properties

ID: 131125

SMILES:
C(CC(C)C)c1cc(C2C(C(C)=C)CCC(C)=C2)c(O)c2c1OC(C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.366

InChIKey:
XUKZIVFHHHIVNF-UHFFFAOYSA-N

ID: 131126

SMILES:
CC1=CC2c3c(OC)cc(CCCCC)cc3OC(C)(C)C2C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.879

InChIKey:
DIFQSXGUCOQNAW-UHFFFAOYSA-N

ID: 131127

SMILES:
C(CCc1c(O)c(C)c(O)c(C2C=C(C)CCC2C(C)=C)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.587

InChIKey:
RZMWIBXFCAGYME-UHFFFAOYSA-N

ID: 131128

SMILES:
C(=C(C)C)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CCC=C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -15.296

InChIKey:
LMVZTLGEEQPAAM-UHFFFAOYSA-N

ID: 131129

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 131130

SMILES:
C1CC(C(O)(C)C)C2c3c(cc(CCCCC)cc3O)OC(CCC(O)(C)C1O)C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.617

CB1 binding score: -15.633

InChIKey:
ANUSCJVWWVPFRC-UHFFFAOYSA-N

ID: 131131

SMILES:
C(C)(CCC(Oc1cc(CCCCC)cc(O)c1CC=C(C)C)=O)=CC(OC)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -15.473

InChIKey:
QKQTZTZTIFCWGH-UHFFFAOYSA-N

ID: 131132

SMILES:
CC1(C=C)C(C(=C)C)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -17.334

InChIKey:
HZFFMBCYIIJZNO-UHFFFAOYSA-N

ID: 131133

SMILES:
C=C(C)C1C(c2c(O)cc(CCCCC)cc2OC)CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.696

InChIKey:
HYNYRWBHLSVRRM-UHFFFAOYSA-N

ID: 131134

SMILES:
Oc1cc2c(cc1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.912

InChIKey:
JKUWZILTAIFPQY-UHFFFAOYSA-N

ID: 131135

SMILES:
c1(C)c(C2CC(=C)C(OO)CC2C(C)C)c(O)cc(CCCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.027

InChIKey:
ODWZICGRTKYZNF-UHFFFAOYSA-N

ID: 131136

SMILES:
CC(C)=CCCC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -19.037

InChIKey:
VAFRUJRAAHLCFZ-UHFFFAOYSA-N

ID: 131137

SMILES:
C1(OC(C)=O)C2(C)C(O)(CCC(C)=CCc3c(OC)cc(CCCCC)cc31)C(C(OC(=O)C)(C)C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 528.73

CB1 binding score: -16.575

InChIKey:
XUSCIOWDWBJKHA-UHFFFAOYSA-N

ID: 131138

SMILES:
C(CCc1cc2c(c(OC)c1)OC(C)(C)c1c-2cc(C)c(O)c1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -14.243

InChIKey:
FRJJKJYHWYPKDR-UHFFFAOYSA-N

ID: 131139

SMILES:
CC(C1C2C3C(C)(C2OC(=O)C)Oc2cc(CCCCC)cc(O)c2C31)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -15.986

InChIKey:
SRXPSBYHUKQTNM-UHFFFAOYSA-N

ID: 131140

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 131141

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -15.357

InChIKey:
CMXZHRMREQVJRE-UHFFFAOYSA-N

ID: 131142

SMILES:
C(C)(=CCc1c(O)cc(CCC)cc1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 131143

SMILES:
C(Cc1cc(O)c(C2C=C(C)C(=O)CC2C(C)=C)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -18.451

InChIKey:
YKQFRQCMTDTORX-UHFFFAOYSA-N

ID: 131144

SMILES:
C(O)(C=C(C)C)CC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.956

InChIKey:
JEKXHWPGFNFNEO-UHFFFAOYSA-N

ID: 131145

SMILES:
CC(=CCC=C(C1Cc2c(cc(CCCCC)cc2O)O1)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.574

InChIKey:
GOYFULWRPDJLGJ-UHFFFAOYSA-N

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131125–131145 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