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Molecule Identifiers
Molecular Properties

ID: 130390

SMILES:
CCCCCCc1cc2c(c(O)c1)C1C(CCC(=C)C3CC(O)C(C)(O)C3)C(C(=C)C)CC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.705

CB1 binding score: -16.104

InChIKey:
AQPAPNXMVFEMNN-UHFFFAOYSA-N

ID: 130391

SMILES:
c1c(C)c(C2C(C(O)(C)C)CCC(C)=C2)c(O)c(CC=C(C)C)c1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -18.013

InChIKey:
DVFWOFSTXZVJKQ-UHFFFAOYSA-N

ID: 130392

SMILES:
C1(C)(O)CCC(C(C)C)(O)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.472

CB1 binding score: -15.963

InChIKey:
IJTPAGLMWLCKRI-UHFFFAOYSA-N

ID: 130393

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C2(C)C1C1=C(C(O)C(=O)C1C)CC2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.548

CB1 binding score: -14.021

InChIKey:
KTIYTDWAZYCVRG-UHFFFAOYSA-N

ID: 130394

SMILES:
c1(C)c(OC)c(OC)c(OC)c2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.239

InChIKey:
IXXRJYHZXRBNLN-UHFFFAOYSA-N

ID: 130395

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 130396

SMILES:
CC1(CCC=C(C)CCC2OC2(C)C)Oc2c(C)cc(O)cc2C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.553

InChIKey:
ACVWHKVJGOVUKG-UHFFFAOYSA-N

ID: 130397

SMILES:
CC1(C)C2(C)CC(c3c(O)cc(CCC)cc3O1)CC2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -13.798

InChIKey:
SVWIYTGPTHZLEH-UHFFFAOYSA-N

ID: 130398

SMILES:
c1(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 130399

SMILES:
CC(C=CCC(C)=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.055

InChIKey:
RPUDVXVVIQGCRT-UHFFFAOYSA-N

ID: 130400

SMILES:
C(c1c(C2C(C(C)=CC(=O)CC(C)C)CCC(C)=C2)c(O)cc(C)c1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -14.063

InChIKey:
PNKZROMYOLYRPJ-UHFFFAOYSA-N

ID: 130401

SMILES:
C12(O)C=C(C)CCC1(O)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -13.593

InChIKey:
DYCWQOUXWCUSCL-UHFFFAOYSA-N

ID: 130402

SMILES:
CC(C)(C)OC(C1CCC(CCC2C(C)(C)Oc3ccc(C(O)=O)cc3C2)(C)O1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.53

CB1 binding score: -13.633

InChIKey:
ZFGMBBHUOMLSNN-UHFFFAOYSA-N

ID: 130403

SMILES:
c12cc(CCCN)ccc1OC(C)(C)C1C2C=CCC(CCCCC)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 355.566

CB1 binding score: -15.034

InChIKey:
DGWFAFQIJQMTHP-UHFFFAOYSA-N

ID: 130404

SMILES:
C(C(C)(C1CC1C(C)=O)O)(C(C)C)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.929

InChIKey:
VUDFERUBIVTEEQ-UHFFFAOYSA-N

ID: 130405

SMILES:
C12C(C)=C(C)CCC13c1c(cc(CCCCC)cc1O)OC(C)(C)C3CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -14.692

InChIKey:
JSARYTPOPSGLIV-UHFFFAOYSA-N

ID: 130406

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -16.071

InChIKey:
FEMKOKBYHIXYAO-UHFFFAOYSA-N

ID: 130407

SMILES:
CC(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.909

InChIKey:
LUYHZUJNWMSVCU-UHFFFAOYSA-N

ID: 130408

SMILES:
C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 130409

SMILES:
c1(CC=C(CCC=C(C)C)C)c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 130410

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.632

InChIKey:
BDDVNZQHIHLLFZ-UHFFFAOYSA-N

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130390–130410 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