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Molecule Identifiers
Molecular Properties

ID: 136480

SMILES:
C1(=O)OCC(CCc2ccc(O)c(OC)c2)=C1CC=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -15.623

InChIKey:
BVOUPJOVFXPNBS-UHFFFAOYSA-N

ID: 136481

SMILES:
c1(O)c(C2CC(C)=CCC2C(=C)C)c(C(CC)O)cc(OC)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -13.517

InChIKey:
WYQNFZRELNFMCJ-UHFFFAOYSA-N

ID: 136482

SMILES:
O(C)c1cc(CCCCC)cc2c1C1CC(C)=CCC1C2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -17.103

InChIKey:
NVOIIEFBVSAMJE-UHFFFAOYSA-N

ID: 136483

SMILES:
O(C)CCc1cc(C2C=C(C)CCC2C(C)=C)c(O)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -13.947

InChIKey:
YIWYDTDGEDOROV-UHFFFAOYSA-N

ID: 136484

SMILES:
C1c2cc(CCCCC)cc(O)c2CC=C(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.378

CB1 binding score: -15.787

InChIKey:
XKCLVUSWLAMYBF-UHFFFAOYSA-N

ID: 136485

SMILES:
C12C(C)(CCC1C(C)(C)O)Oc1ccc(CCCCC)cc12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -16.608

InChIKey:
KBRGVCFNFRAOLC-UHFFFAOYSA-N

ID: 136486

SMILES:
Oc1cc(CCc2ccc(OC)c(O)c2)cc(O)c1CC=C(CCC=C(CCC=C(C)C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.646

CB1 binding score: -15.616

InChIKey:
XSCUEBDUUSLXMO-UHFFFAOYSA-N

ID: 136487

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -17.123

InChIKey:
OIYUBVNPECFWIK-UHFFFAOYSA-N

ID: 136488

SMILES:
Oc1c(CC=C(C)CCC=C(C)C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -18.509

InChIKey:
GYMCVCVNOOJXQB-UHFFFAOYSA-N

ID: 136489

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)o2)C2(C)CCC(C(C)=C)C2C1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -18.214

InChIKey:
XWEWHVZDVZYHKE-UHFFFAOYSA-N

ID: 136490

SMILES:
c1(O)c(OC)c(C2C=C(C)CCC2C(C)=C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.781

InChIKey:
GBIKWTSXCATWGA-UHFFFAOYSA-N

ID: 136491

SMILES:
c1c(OC)c(O)cc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.407

InChIKey:
QMFTYLCWBOBNGL-UHFFFAOYSA-N

ID: 136492

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.334

InChIKey:
LMTQDQLMOBKYNY-UHFFFAOYSA-N

ID: 136493

SMILES:
c1(O)cc(CCCC)cc2c1C1C3C(C4C(C4(C)C)CCC3=C)(O2)C(C)CO1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -15.866

InChIKey:
HATKWOAUXYUJSU-UHFFFAOYSA-N

ID: 136494

SMILES:
Oc1cc2c(cc1CCCCC)OC1C2=C(C(C)CCCO)C(=O)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -16.591

InChIKey:
WZHKPEZZLUVSQZ-UHFFFAOYSA-N

ID: 136495

SMILES:
C(CCC)Cc1cc(O)c2c(c1)CCC1C2(C)CCC=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -16.166

InChIKey:
NIMXPXUMYXDPPH-UHFFFAOYSA-N

ID: 136496

SMILES:
C(c1c(O)c2c(cc1C)C1(O)C(C(C)(C)O2)CCC1C)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.096

InChIKey:
UNYXFSUVXCZRHY-UHFFFAOYSA-N

ID: 136497

SMILES:
C1(C)=C(CCC(C)=CCc2cc(O)cc(C)c2O)C(=C(C)C)CCC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -14.231

InChIKey:
UVKLHRFENQVWGE-UHFFFAOYSA-N

ID: 136498

SMILES:
c12cc(CC(C)C)cc(O)c1C1C(C(=C)C)(O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -15.046

InChIKey:
AWPNSASVIDFCGX-UHFFFAOYSA-N

ID: 136499

SMILES:
C12C(O)CC3(C)C(C1CC(C)CC2)c1c(cc(CCCCC)cc1O)OC3=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -16.296

InChIKey:
ORMPAZZTQSDNLZ-UHFFFAOYSA-N

ID: 136500

SMILES:
C(CCC)Cc1c(C2CC(C(=C)C)CC=C2C)oc2c1cccc2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.492

CB1 binding score: -16.93

InChIKey:
FBADPLVOFSMBIG-UHFFFAOYSA-N

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136480–136500 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