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Molecule Identifiers
Molecular Properties

ID: 138391

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCCO)cc1O)=CCCC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.733

CB1 binding score: -14.248

InChIKey:
SEWJHUISEHHGLV-UHFFFAOYSA-N

ID: 138392

SMILES:
CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.813

InChIKey:
PWXRETMDAHYTOA-UHFFFAOYSA-N

ID: 138393

SMILES:
c1(CCC(=O)C)cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.879

InChIKey:
VREMTNOIPOJZQH-UHFFFAOYSA-N

ID: 138394

SMILES:
C12CCC(C)=CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.821

InChIKey:
CUWJKLPAOPPJHN-UHFFFAOYSA-N

ID: 138395

SMILES:
Cc1c(CC(C(=C)C)O)c2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.873

InChIKey:
WEVHEOKRAFQCLR-UHFFFAOYSA-N

ID: 138396

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1=C(CCC1C)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.753

InChIKey:
OAHHZUDLEHBUGH-UHFFFAOYSA-N

ID: 138397

SMILES:
c1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 138398

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

ID: 138399

SMILES:
c1(C(C)C)cc(O)c2c(c1)OC1(C)C(C2O)C(C)(C)C(Br)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 383.326

CB1 binding score: -18.428

InChIKey:
VMGNWAMRHBKDHA-UHFFFAOYSA-N

ID: 138400

SMILES:
C12CC(=C)CCC1C(C)(C)Oc1c2c(O)ccc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.336

InChIKey:
FTLBKUXTRWYZKX-UHFFFAOYSA-N

ID: 138401

SMILES:
C12C(CC(O)C(C)=C1)C(C)(C)Oc1cc(CCCCC)c(C(=O)O)c(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -18.46

InChIKey:
VEJFACHEOKRKRF-UHFFFAOYSA-N

ID: 138402

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: 138403

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 138404

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 138405

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C=CC=C(C)CCC(C(O)(C)C)O)O1)C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.694

CB1 binding score: -15.156

InChIKey:
YKGGLAYHZZWTRS-UHFFFAOYSA-N

ID: 138406

SMILES:
C1(O)C(C)(C)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 138407

SMILES:
CC1=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 138408

SMILES:
C(C)(C#CC=C(C)C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -14.778

InChIKey:
FKECPGNWSFOQRX-UHFFFAOYSA-N

ID: 138409

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.354

InChIKey:
OJTMRZHYTZMJKX-UHFFFAOYSA-N

ID: 138410

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.472

InChIKey:
UTKJVRFKHPXOOM-UHFFFAOYSA-N

ID: 138411

SMILES:
O=c1c(C)cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -14.203

InChIKey:
BSZNEZBYBLBMFA-UHFFFAOYSA-N

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138391–138411 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