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Molecule Identifiers
Molecular Properties

ID: 137236

SMILES:
C1(C)(C)Oc2cc(CCC)cc(O)c2CC=C(C)CCC=C(C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -16.144

InChIKey:
DPXQVUDTBDSJPB-UHFFFAOYSA-N

ID: 137237

SMILES:
c1c(CCCCC)cc2c(c1)OC(C)(C)C1C2CC=C(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -13.866

InChIKey:
DCGIGYOYBDPAKM-UHFFFAOYSA-N

ID: 137238

SMILES:
O=C1C=C(C)CCC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.433

InChIKey:
MYNRDILXLLPAJK-UHFFFAOYSA-N

ID: 137239

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(OC(=O)C)c1CC(=CCc1c(O)c(C)cc(O)c1)C)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 518.694

CB1 binding score: -13.79

InChIKey:
MNBFXTSLDOKKOE-UHFFFAOYSA-N

ID: 137240

SMILES:
C1C(C)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.528

CB1 binding score: -18.883

InChIKey:
KKBNGEMFBFEYQN-UHFFFAOYSA-N

ID: 137241

SMILES:
OC(C)(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 137242

SMILES:
C(CCc1cc(O)cc(Oc2c(CC=C(C)CCC=C(C)C)cc(CC(C3=CCC(C)(C)CC3OC)C)cc2)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 558.847

CB1 binding score: -13.522

InChIKey:
CYNNVLCNKRFSFY-UHFFFAOYSA-N

ID: 137243

SMILES:
C1(C(O)C)C2C3c4c(O)cc(CCCCC)cc4OC(C)(C)C3CCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -16.386

InChIKey:
YAEMZYBOVMZXDG-UHFFFAOYSA-N

ID: 137244

SMILES:
c12c(ccc(C)c1C)C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -12.14

InChIKey:
BSBFPHSNNSSCEW-UHFFFAOYSA-N

ID: 137245

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 137246

SMILES:
Oc1c2c(cc(O)c1CC=C(C)C)C(CCC=C(C)C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.646

CB1 binding score: -15.571

InChIKey:
ITIJZRYDJPBUFQ-UHFFFAOYSA-N

ID: 137247

SMILES:
C12(C)CCC(O)(c3c(O)cc(CCCCC)cc3OC)OC1CCC(C)(C)C2(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.59

CB1 binding score: -15.319

InChIKey:
CNOZXWCUGOUSHE-UHFFFAOYSA-N

ID: 137248

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 137249

SMILES:
CC1(C)Oc2c(c(O)cc(C)c2)C2CC(=C)CCC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.067

InChIKey:
HRWSDIFPFHPUTH-UHFFFAOYSA-N

ID: 137250

SMILES:
C1CC(C(C)(C)O)C(c2cc(CCCCC)cc(O)c2)C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.957

InChIKey:
ZWKXGAZFTWCMFB-UHFFFAOYSA-N

ID: 137251

SMILES:
C(C)(C)C1CCC(C)=CC1c1cc(CCCCC)cc(O)c1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.819

InChIKey:
RZMKUSQJYZLTNA-UHFFFAOYSA-N

ID: 137252

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C(=O)CC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.187

InChIKey:
QHPAAFINTQBRPR-UHFFFAOYSA-N

ID: 137253

SMILES:
O=C(OC(c1cc2c(c(O)c1)C=CC(C)(CCC=C(C)C)O2)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -14.77

InChIKey:
WWHJBKABXIQXNJ-UHFFFAOYSA-N

ID: 137254

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.334

InChIKey:
OCTQIDRSDSFRBW-UHFFFAOYSA-N

ID: 137255

SMILES:
CC(C1C(c2c(O)cc(CCC)cc2O)C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 137256

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

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137236–137256 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