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Molecule Identifiers
Molecular Properties

ID: 119260

SMILES:
C12C(CC(=O)C(C)C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.046

InChIKey:
UECUNLJHUBNWSC-UHFFFAOYSA-N

ID: 119261

SMILES:
C(CCC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1)OC(CO)C2)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -13.536

InChIKey:
ZIWBFJYFELBURS-UHFFFAOYSA-N

ID: 119262

SMILES:
C1(C)=CC2c3c(O)cc4c(c3OC1)OC(C)(C)C2C4

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.317

CB1 binding score: -15.367

InChIKey:
LJLNYTRVGSOCQA-UHFFFAOYSA-N

ID: 119263

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.354

InChIKey:
OJTMRZHYTZMJKX-UHFFFAOYSA-N

ID: 119264

SMILES:
C(C(C=Cc1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C(O)C(O)(C)CC1)C(=O)OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.638

CB1 binding score: -13.522

InChIKey:
RPPZVYOFTSDZMJ-UHFFFAOYSA-N

ID: 119265

SMILES:
CC(C)=CCCC1(C)OC1Cc1c(O)cc(CCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -15.723

InChIKey:
OVOWHKVAGVYSQE-UHFFFAOYSA-N

ID: 119266

SMILES:
C1CC(C)=CC2C1C(C)(C)Oc1c2cc(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 119267

SMILES:
c1(O)cc2c(cc1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -18.541

InChIKey:
DXDRGIVLXHOGHC-UHFFFAOYSA-N

ID: 119268

SMILES:
C12(C)Oc3cc(C)cc(O)c3C1CC(C(=C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.345

CB1 binding score: -17.221

InChIKey:
NQVQQAJZLPDFOQ-UHFFFAOYSA-N

ID: 119269

SMILES:
C1=C(C)CC2Oc3c(c(O)cc(CCCCC)c3)C2CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.362

InChIKey:
MQYRVJOCVPLDSG-UHFFFAOYSA-N

ID: 119270

SMILES:
C12(C)CCC(C(=C)C)C1c1c(cc(CCCCC)cc1O)OC(C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.616

InChIKey:
LMJHZIWVARZEJJ-UHFFFAOYSA-N

ID: 119271

SMILES:
Oc1c(C2C(C(C)(O)C)CCC(C)=C2)c(O)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -17.637

InChIKey:
CHUDUQRJNYLFSG-UHFFFAOYSA-N

ID: 119272

SMILES:
CC(C)C(O)C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12O)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -16.502

InChIKey:
ZHIBPKDFIUGLNV-UHFFFAOYSA-N

ID: 119273

SMILES:
C1(=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -19.037

InChIKey:
WOUJHLUSTPDGBC-UHFFFAOYSA-N

ID: 119274

SMILES:
c1(O)cc(C2C=C(C)CCC2C(=C)C)c(O)cc1CC=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -17.334

InChIKey:
JNCUHOWFGFVOPI-UHFFFAOYSA-N

ID: 119275

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 119276

SMILES:
C(C=C(CCC=C(C)C)C)c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 119277

SMILES:
CCCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 119278

SMILES:
c1c(CCCCC)cc2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -19.248

InChIKey:
ULSCPFQNHAPIEH-UHFFFAOYSA-N

ID: 119279

SMILES:
c1c(O)c(OC)cc(CC2=C(C(=O)C)C(C)OC(C)(C)C2)c1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.385

CB1 binding score: -14.939

InChIKey:
KZDYTJBKGSJUMU-UHFFFAOYSA-N

ID: 119280

SMILES:
c1(C=CCO)cc(OC)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.144

InChIKey:
KOYIZWZMCRSBIX-UHFFFAOYSA-N

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119260–119280 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