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Molecule Identifiers
Molecular Properties

ID: 140260

SMILES:
C1CC(O)(C)C2(O)C1=C(c1cc(CCCCC)cc(O)c1)C(C(C)=C)C(CC(C)=O)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -14.666

InChIKey:
DIMCBUGUHUPIRT-UHFFFAOYSA-N

ID: 140261

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -16.179

InChIKey:
ABEWTQQDVRBMMF-UHFFFAOYSA-N

ID: 140262

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC1(C)C(C2)C(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.583

InChIKey:
BPCSQTQTIGSQEK-UHFFFAOYSA-N

ID: 140263

SMILES:
O=C(C)OC1CC(C(C)=C)C(c2c(OC)cc(CCCCC)cc2)C=C1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.388

InChIKey:
NXTPFDGAQBASPC-UHFFFAOYSA-N

ID: 140264

SMILES:
C1(C)(C)Oc2c(c(O)c(CC(C)C3CCC(CO)=CC3)c(C)c2)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.605

InChIKey:
SGRVEZIDGSLGBT-UHFFFAOYSA-N

ID: 140265

SMILES:
O1c2cc(CCCCC)cc(O)c2CC=C(C)C(=O)OC(C)(C=C(C)C(=O)C=CC(C)(C)O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.606

CB1 binding score: -14.199

InChIKey:
IOIXGVPBSOASDZ-UHFFFAOYSA-N

ID: 140266

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C=C(C)CC3C2(C(O)(C)CCC3C(=C)C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -16.191

InChIKey:
IEKCMJWYYJBADG-UHFFFAOYSA-N

ID: 140267

SMILES:
C(CCCCO)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.184

InChIKey:
ZKGKOAJUWMGRFB-UHFFFAOYSA-N

ID: 140268

SMILES:
c1(C)c2c(c(OC)c(OC)c1C=O)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -13.141

InChIKey:
FQXMBWWQVZSWIZ-UHFFFAOYSA-N

ID: 140269

SMILES:
C(O)C1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 140270

SMILES:
C1(C)C2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.029

InChIKey:
HCVJHHUJBXZYBI-UHFFFAOYSA-N

ID: 140271

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.668

CB1 binding score: -16.162

InChIKey:
PQOJWTPXJLVGDI-UHFFFAOYSA-N

ID: 140272

SMILES:
C1C(C2(C)CCCC3(C)C(=O)Oc4cc(CCCCC)cc(O)c4C(=O)O3)C2C(O)C(=O)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.578

CB1 binding score: -13.15

InChIKey:
BLDKUPVVFAXDIT-UHFFFAOYSA-N

ID: 140273

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C2CCC1C23OC(C)(C)C(C(OC(=O)C)C2CCC3(C)O)C1)C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 542.757

CB1 binding score: -15.201

InChIKey:
ROYPFKGSTXWKSV-UHFFFAOYSA-N

ID: 140274

SMILES:
C1(C)(C)C2c3c(c(C)c(CCCCC)cc3O)OC1(C)CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -12.528

InChIKey:
BBAIFDASPDHBPX-UHFFFAOYSA-N

ID: 140275

SMILES:
CCC(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C(CCC(=O)C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -14.605

InChIKey:
SRKRINOTRDCNGN-UHFFFAOYSA-N

ID: 140276

SMILES:
CC(=C)C1Cc2c(cc(CCCCC)cc2O)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.207

InChIKey:
DBFKDPJQRYVJFM-UHFFFAOYSA-N

ID: 140277

SMILES:
C(O)(Cc1c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC21)C1OC(=O)C(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.472

CB1 binding score: -13.222

InChIKey:
UFGGTDQJZQPQNG-UHFFFAOYSA-N

ID: 140278

SMILES:
C1(O)C(C)(C)C2Cc3c(O)cc(CCCCCC)cc3OC2(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 346.511

CB1 binding score: -17.334

InChIKey:
NQLKHUDAYYSTPS-UHFFFAOYSA-N

ID: 140279

SMILES:
c1(-c2ccc(OCC)cc2)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -15.895

InChIKey:
XWEOLMHZMJXUBK-UHFFFAOYSA-N

ID: 140280

SMILES:
C(CCC)Cc1cc(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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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties