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Molecule Identifiers
Molecular Properties

ID: 129130

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 129131

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCC)cc2OC)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.099

InChIKey:
NBMJMYIBJIBJAJ-UHFFFAOYSA-N

ID: 129132

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1OC)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -12.506

InChIKey:
KWCLQIWHBNQXEL-UHFFFAOYSA-N

ID: 129133

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -16.502

InChIKey:
YWBNBNGETHOMLR-UHFFFAOYSA-N

ID: 129134

SMILES:
C1(=O)CC2C(C(=O)C1C)c1c(cc(CCCCC)cc1OC(C)=O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -14.627

InChIKey:
PBYNSIAWRWNOBY-UHFFFAOYSA-N

ID: 129135

SMILES:
C(c1c2c(c(C)cc1O)CC(O)C(CCC=C(C)C)(C)O2)CCc1ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -14.552

InChIKey:
OAOLTBWKPCAALR-UHFFFAOYSA-N

ID: 129136

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129137

SMILES:
C1C2(OC(C)(C)C3CCC(C)C13)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -13.951

InChIKey:
NBYWNYAZARESCX-UHFFFAOYSA-N

ID: 129138

SMILES:
c1(O)cc(CCCCC)cc2c1C1CC(CC=C(C)C)(C(C)CCC1C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -16.281

InChIKey:
WEMCJKFUTIMIMG-UHFFFAOYSA-N

ID: 129139

SMILES:
C1(C2C(C)(CO)Oc3cc(CCCCC)cc(O)c32)CC(O)CCC1C(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.492

CB1 binding score: -14.605

InChIKey:
TZRCCQSIUVXDKR-UHFFFAOYSA-N

ID: 129140

SMILES:
C(CCCC(C)C)(=CCCC(C)=CCc1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.62

CB1 binding score: -17.957

InChIKey:
WREORMNKAYSWIL-UHFFFAOYSA-N

ID: 129141

SMILES:
C1(C(C)CC(OC(=O)c2ccc(O)cc2)CC(C)=C)(OC)OC2c3c(O)cc(C)cc3OC(C)(C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 524.654

CB1 binding score: -12.006

InChIKey:
UAUYNKSHHXZBSS-UHFFFAOYSA-N

ID: 129142

SMILES:
c1(CCCCC)cc2c(c(C)c1)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -14.618

InChIKey:
IEKFERFBWVYKGO-UHFFFAOYSA-N

ID: 129143

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(O)(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 129144

SMILES:
c1c(CC(C)CCCC(C)C2=CCC(C)CC2O)cc(O)c(O)c1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -12.769

InChIKey:
LMGIYSGWMZVSGQ-UHFFFAOYSA-N

ID: 129145

SMILES:
C1C(c2c(O)cc3c(c2)OC(C)(C)C(O)C3)C(=O)C=C(CCCC(=O)C)C1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.444

CB1 binding score: -12.743

InChIKey:
YEYXPLLEKSNZAC-UHFFFAOYSA-N

ID: 129146

SMILES:
Oc1c(C=CC(C)(O)C)ccc(C2C(C(C)=C)CCC(C)=C2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -11.927

InChIKey:
PUMYVABRVYRBKM-UHFFFAOYSA-N

ID: 129147

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.566

CB1 binding score: -17.334

InChIKey:
HUZUNOBRQXIDSH-UHFFFAOYSA-N

ID: 129148

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(COC)(C)CC12)C(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -16.581

InChIKey:
PAHDXTLTPGMHMN-UHFFFAOYSA-N

ID: 129149

SMILES:
C1(=CCC(=O)C)C(C)(C)C2C(c3c(O)cc(CCC)cc3O1)CC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -14.4

InChIKey:
AJBVPMQXEGQUHL-UHFFFAOYSA-N

ID: 129150

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

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129130–129150 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