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Molecule Identifiers
Molecular Properties

ID: 102271

SMILES:
C1C(C)CC(c2c(O)cc(CC)cc2O)C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.576

InChIKey:
KDHXYFWLRPWCCH-UHFFFAOYSA-N

ID: 102272

SMILES:
Oc1cc(CCC=O)cc2c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.568

InChIKey:
JSMLSRSWEPLGJB-UHFFFAOYSA-N

ID: 102273

SMILES:
O=C(N(CCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)C)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 359.51

CB1 binding score: -15.626

InChIKey:
HDDADXUKNCFSFZ-UHFFFAOYSA-N

ID: 102274

SMILES:
C1(C(CC)(C)O)Cc2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -15.937

InChIKey:
IYPGFMVVAZRXKA-UHFFFAOYSA-N

ID: 102275

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.957

InChIKey:
ZSBGNUPOFUYDMQ-UHFFFAOYSA-N

ID: 102276

SMILES:
c1(CC=C(C)CCC=C(C)C)c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 102277

SMILES:
C12C(CCC(C)=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 102278

SMILES:
C1C2(C)Oc3cc(CCCCC)cc(O)c3C3C(C(C)(C)CC1)C(=O)OC23

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.982

InChIKey:
MNTIVPUMURXXDP-UHFFFAOYSA-N

ID: 102279

SMILES:
CC(C)(C1(C)C2C(C)(CCC(=C)CC2)CC1)Oc1cc(CCCCC)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -16.303

InChIKey:
QSJHEZLDSKAOLT-UHFFFAOYSA-N

ID: 102280

SMILES:
O=C(OC)c1c(O)c2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -15.439

InChIKey:
RTBNCXARWNTWFO-UHFFFAOYSA-N

ID: 102281

SMILES:
c1(CC2C(=C)CCC(C(=C)CO)C2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.949

InChIKey:
BTXCKGKRKMLXLZ-UHFFFAOYSA-N

ID: 102282

SMILES:
c1(N)c(C(C(CCC)CC)=O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 371.521

CB1 binding score: -17.948

InChIKey:
GHZZZJNUWSCWCQ-UHFFFAOYSA-N

ID: 102283

SMILES:
O1c2c(c(O)cc(CCC)c2)C2C=C(CC3(CC=C(C)C)C2=O)C1(C)CCC(=O)C(C)(C)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.591

CB1 binding score: -15.108

InChIKey:
VUFCWFWGZOBYFF-UHFFFAOYSA-N

ID: 102284

SMILES:
C(C(C)=CCc1c(O)cc(CCCCC)cc1OC)C=CC(O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.334

InChIKey:
AFSHLXLGQFRFPZ-UHFFFAOYSA-N

ID: 102285

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C(OC(=O)CCCCC)C(C)C1CC(=O)C(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.715

CB1 binding score: -13.897

InChIKey:
PPQIUIHGLTVYDE-UHFFFAOYSA-N

ID: 102286

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -17.518

InChIKey:
NZBUOWUWYISYNV-UHFFFAOYSA-N

ID: 102287

SMILES:
O(CCCC)c1c2c(cc(C)c1Br)CC1(OCC)C(C(C)(C)O2)CCC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 439.434

CB1 binding score: -15.929

InChIKey:
UVYMJBVEWIUMTL-UHFFFAOYSA-N

ID: 102288

SMILES:
c1(OC)cc(CC=C(C)C)cc(C2C=C(C)CCC2C(C)=C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.481

CB1 binding score: -15.416

InChIKey:
HDGLPWRYKQFSCO-UHFFFAOYSA-N

ID: 102289

SMILES:
O=C1C(O)C(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -17.334

InChIKey:
ASISJTWUWYDYSP-UHFFFAOYSA-N

ID: 102290

SMILES:
c1c(O)c(C2C=C(C)CCC2C(=C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 102291

SMILES:
c1(CC=C(CCC=C(C)C)C)c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -16.813

InChIKey:
CFDJNJRNPRDHMH-UHFFFAOYSA-N

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102271–102291 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