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Molecule Identifiers
Molecular Properties

ID: 142234

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(C(C(C)OC(C)=O)CC)c3C2C(=C)CCC=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.733

CB1 binding score: Not available

InChIKey:
DGEKBJMKZVDEAB-UHFFFAOYSA-N

ID: 142235

SMILES:
C(CC1(C)Oc2c(C)cc(O)cc2C=C1)C1OC(C)(C)C(O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -13.001

InChIKey:
VUXUGFOWBTYSBY-UHFFFAOYSA-N

ID: 142236

SMILES:
C1(O)CC(O)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.564

CB1 binding score: -15.168

InChIKey:
LQMDKWPEFZHZES-UHFFFAOYSA-N

ID: 142237

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -19.321

InChIKey:
CJSCUGYYYZMETI-UHFFFAOYSA-N

ID: 142238

SMILES:
O(C)c1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 142239

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 142240

SMILES:
C1(C)(C)Oc2c(cc(CCCCC)cc2O)C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.779

InChIKey:
ZSDJPGLYWNHCIW-UHFFFAOYSA-N

ID: 142241

SMILES:
c12c(O)cc(CCCCC)cc1OC1(C)CCC(C(C)(C)O)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.334

InChIKey:
LTJOTHGPJVLRQN-UHFFFAOYSA-N

ID: 142242

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 142243

SMILES:
O1C2(C)C(Cc3c(OC(C)=O)cc(CCCCC)cc3O2)C(C(CCC=C(C)C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -16.005

InChIKey:
AXVGOAXBFCLUQS-UHFFFAOYSA-N

ID: 142244

SMILES:
CC(CCC1C(CCC=C(C)C)(C)OC(=O)C2c3c(c(O)ccc3O)CC(C)C21)=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -15.312

InChIKey:
JLJHMAIRLDSALZ-UHFFFAOYSA-N

ID: 142245

SMILES:
C1(C(=C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 142246

SMILES:
C1C2(C(C)(C)Oc3cc(O)cc(C)c32)CC(=O)CC1OC(C)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.901

InChIKey:
PFSWLQBCKGZHPU-UHFFFAOYSA-N

ID: 142247

SMILES:
CCCCCc1cc(O)c(C2CC(C)=CC(c3cc(O)c(C4CC(C)=CCCC4C(=O)O)o3)c2)c(O)c1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.682

CB1 binding score: -17.226

InChIKey:
ULDUXYLAXIDDPS-UHFFFAOYSA-N

ID: 142248

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: 142249

SMILES:
c1c(O)c2cc(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -17.306

InChIKey:
ICULJHFIKMPUSB-UHFFFAOYSA-N

ID: 142250

SMILES:
c12cc(CCCC(C)=C)cc(O)c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.626

InChIKey:
YKJCWHKERLEFOL-UHFFFAOYSA-N

ID: 142251

SMILES:
OC1(C)C2CC3(C(CC2)c2c(O)cc(CCCCC)cc2OC3(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -16.41

InChIKey:
VBVOGPOJBFAXOO-UHFFFAOYSA-N

ID: 142252

SMILES:
c1(O)c2c(c(C)cc1O)CCC(CN(C)CC(C)C1CCC(C)=CC1)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 373.537

CB1 binding score: -15.131

InChIKey:
RQLFNXHMGNYYIG-UHFFFAOYSA-N

ID: 142253

SMILES:
C12C(=O)CC(CO)=CC1c1c(ccc(CCCCC)c1)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.263

InChIKey:
QFWYMGHSUZUVOZ-UHFFFAOYSA-N

ID: 142254

SMILES:
CC(C1OC1C1(O)C(C)(C)OC1(C)C)=CC(=O)CC(C)=CCc1c(O)c(C)cc(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.568

CB1 binding score: -14.174

InChIKey:
IXZOEFADBHXENF-UHFFFAOYSA-N

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142234–142254 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