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Molecule Identifiers
Molecular Properties

ID: 64303

SMILES:
CC1(CCC=C(C)C)Oc2cc(C)cc(OC)c2C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.372

InChIKey:
VRVBUCRQGHWYCT-UHFFFAOYSA-N

ID: 64304

SMILES:
OCC1(C)C2C(C)(CCC1)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.828

InChIKey:
FZEUVBDOPAEUDC-UHFFFAOYSA-N

ID: 64305

SMILES:
C1(CC(C2COc3cc(CCC[N+](C)O)cc(O)c32)=O)CCC(C(C)(C)O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 405.535

CB1 binding score: -14.605

InChIKey:
URKLJOLSWRDRGY-UHFFFAOYSA-N

ID: 64306

SMILES:
c1(O)c(CCC)cc2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.123

InChIKey:
LRWQJVULTGKWJK-UHFFFAOYSA-N

ID: 64307

SMILES:
Oc1c(CC2(CC(=O)C)OC2)cc(O)c(C2C=C(C)CCC2C(=C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -16.687

InChIKey:
HZRVSGNMAFMOED-UHFFFAOYSA-N

ID: 64308

SMILES:
C1C(C(C)C)C2c3c(c(C(=O)O)c(CCCCC)cc3O)OC(C)(CC2)C1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.557

CB1 binding score: -14.409

InChIKey:
SJLUMGMCZJQMKS-UHFFFAOYSA-N

ID: 64309

SMILES:
CC(C)=CCCC(CCCC(C)=CCc1cc(O)cc(C)c1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.162

InChIKey:
GVVUQQWWMGBFAL-UHFFFAOYSA-N

ID: 64310

SMILES:
C1(Br)C(C)(C)Oc2cc(CCCCC)c(C(OC)=O)c(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 371.271

CB1 binding score: -17.836

InChIKey:
JFPWDPKEAMNNTB-UHFFFAOYSA-N

ID: 64311

SMILES:
O=Cc1c(CCCCC)cc2c3c1C(CC(OCC)=O)(Oc1c(C)cc(O)c4c1C(C(C)(C)O4)CC3)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 508.611

CB1 binding score: -16.37

InChIKey:
NXXWBXWDZOZFAD-UHFFFAOYSA-N

ID: 64312

SMILES:
C12C(C)(C)CCCC1(c1c(O)cc(CCCCC)cc1O)CCC(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -17.147

InChIKey:
VRBMYPRMCBXSMN-UHFFFAOYSA-N

ID: 64313

SMILES:
Oc1c2c(c(C=O)c(C(C(C)C)=O)c1C)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -13.433

InChIKey:
KTFYWGTWVJVXIF-UHFFFAOYSA-N

ID: 64314

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(C(=O)O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 64315

SMILES:
c1(OC)c(CCCCC)cc2c(c1O)-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -18.616

InChIKey:
PYKBXNRGFBKQTI-UHFFFAOYSA-N

ID: 64316

SMILES:
C1(C)C2C(C=C(C)CC2)c2c(O)cc(CCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.746

InChIKey:
DJTUHHYKWMQJBZ-UHFFFAOYSA-N

ID: 64317

SMILES:
C1C(C)C2(C(C)(C)CC1)c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -16.441

InChIKey:
XIICQMDVDBCPGU-UHFFFAOYSA-N

ID: 64318

SMILES:
C(C1CC=C(C)CC1c1c(O)cc(CCC)cc1O)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.712

InChIKey:
SBLQFIJJHXJVBQ-UHFFFAOYSA-N

ID: 64319

SMILES:
c1(O)cc(C)c2c(c1CCCCC)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.092

InChIKey:
YFTNGPKDJBCDOD-UHFFFAOYSA-N

ID: 64320

SMILES:
C(CCCC)c1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 64321

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 64322

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -20.121

InChIKey:
PJBASZVNRDGSFZ-UHFFFAOYSA-N

ID: 64323

SMILES:
c1(O)ccc2c(c1)OC(C)(C)C1CCC(C)=CC1C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.359

InChIKey:
OJUMGXYJGOYXTM-UHFFFAOYSA-N

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64303–64323 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