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Molecule Identifiers
Molecular Properties

ID: 74383

SMILES:
C1C2C(CC(C(O)C(=O)C)=CC2)C(C)(C)Oc2cc(C)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -13.765

InChIKey:
XXDBCWNUVZPWKK-UHFFFAOYSA-N

ID: 74384

SMILES:
C(C)(C=CCC(C)=CCc1c(O)c(C)cc(O)c1)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.746

InChIKey:
SAVHMKMRPFLBRI-UHFFFAOYSA-N

ID: 74385

SMILES:
C(CCc1cc2c(c(O)c1)OC(C)(C)C1C2C=C(C)CC1)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.1

InChIKey:
RDWIIIHMJGHGKM-UHFFFAOYSA-N

ID: 74386

SMILES:
CC(C)=CC(=O)C1C(C)(C)Oc2cc(CCCCC)c(O)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.666

InChIKey:
XNRPFSXRHALVDC-UHFFFAOYSA-N

ID: 74387

SMILES:
C1=C(C)C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C)C(C=CCCC)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.636

CB1 binding score: -15.367

InChIKey:
KSOJTFXQNPDWPX-UHFFFAOYSA-N

ID: 74388

SMILES:
CC1(C)CCCC2(C)c3c(O)cc(CCCCC)cc3OC(C)(C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -16.988

InChIKey:
DTPOKTCMKHEIFC-UHFFFAOYSA-N

ID: 74389

SMILES:
O1C(CO)C(O)C(O)C(O)C1Oc1c2c(cc(C)c1)OC(C)(C)c1CC2C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.518

CB1 binding score: -17.272

InChIKey:
PGEGRWVYUBSCHL-UHFFFAOYSA-N

ID: 74390

SMILES:
C(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1)(C)CC(C=C(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -17.334

InChIKey:
PEKIYOOWTCLKRB-UHFFFAOYSA-N

ID: 74391

SMILES:
O1c2cc(CCCCC)cc(O)c2C2CC(C)=CCC2C(C)(O)CC=C2C(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -14.429

InChIKey:
ZMGCCQDSKFVJPX-UHFFFAOYSA-N

ID: 74392

SMILES:
C(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 74393

SMILES:
c1(CC(=C)C2CCC(C)(O)C3CC(C)(CC3)C2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -14.967

InChIKey:
OKQGMHQBWYEGKW-UHFFFAOYSA-N

ID: 74394

SMILES:
C1(C)(C)C=Cc2c(c(C(O)=O)c(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -17.796

InChIKey:
JRDXSDYHHLODOB-UHFFFAOYSA-N

ID: 74395

SMILES:
C(C(O)=O)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17

InChIKey:
VURTUILNXHAOMR-UHFFFAOYSA-N

ID: 74396

SMILES:
C(=O)c1c(O)c(C)c(O)c2c1C1C(C(C)(C)O2)CC(O)C(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -15.082

InChIKey:
DZNWHMGUDCIBNR-UHFFFAOYSA-N

ID: 74397

SMILES:
CC(C)CCC(c1c(O)cc(O)c2c1OC(C)(C)C1C2C=C(C(=O)O)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -14.199

InChIKey:
HRYLIWHDZMTNFE-UHFFFAOYSA-N

ID: 74398

SMILES:
C(C)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -17.005

InChIKey:
AXJOEUXJCVCGPB-UHFFFAOYSA-N

ID: 74399

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 74400

SMILES:
C1CC(C)CC2=C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.622

InChIKey:
NEBZNJDFIPBXCS-UHFFFAOYSA-N

ID: 74401

SMILES:
C(CCC)CCc1cc2c(c(O)c1)C=CC(C)(CCC=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.458

InChIKey:
LZFSGTNLAZDDKK-UHFFFAOYSA-N

ID: 74402

SMILES:
C1CC(C)(C)C2C(C)(C1)Oc1c(c(O)cc(CCCCC)c1)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.615

InChIKey:
IQKGHLTXTPDDJD-UHFFFAOYSA-N

ID: 74403

SMILES:
C(CC1CC(C)(C)C1)(C)=CCOc1c(O)c(C(OC)=O)c(CCCCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.547

CB1 binding score: -13.798

InChIKey:
YXWCKZXKKXLBJC-UHFFFAOYSA-N

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74383–74403 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