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Molecule Identifiers
Molecular Properties

ID: 106240

SMILES:
C1(C)(C)Oc2cc(CCCCC)ccc2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.351

CB1 binding score: -17.825

InChIKey:
WRULWNHWZUTIHL-UHFFFAOYSA-N

ID: 106241

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 106242

SMILES:
CC1(CCC=C(C)CC=CC(C)(C)O)Oc2c(c(O)cc(CCCCC)c2)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -18.334

InChIKey:
YSQIBIPFWHKCGX-UHFFFAOYSA-N

ID: 106243

SMILES:
c12c(cc(O)cc1O)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.766

InChIKey:
GNBSKWGIRCMMKP-UHFFFAOYSA-N

ID: 106244

SMILES:
CC(c1ccc2c(c1)OC(C)(C)C1CCC(=C)CC12)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -17.007

InChIKey:
XWVKJTFQMZCDBP-UHFFFAOYSA-N

ID: 106245

SMILES:
CCC(C)C(c1c2c(cc(O)c1Br)C1C(C(C)(C)O2)CCC(C)=C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 407.348

CB1 binding score: -12.323

InChIKey:
PCHCHVHACOFFTQ-UHFFFAOYSA-N

ID: 106246

SMILES:
CC1CCC(C(C)=C)C(c2cc(CCCCC)ccc2OC)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.513

CB1 binding score: -17.296

InChIKey:
ZQWQVIXUFDXRLV-UHFFFAOYSA-N

ID: 106247

SMILES:
c1(OC)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCc2ccc(O)cc2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.512

CB1 binding score: -17.568

InChIKey:
IBCCEYLITPPYSY-UHFFFAOYSA-N

ID: 106248

SMILES:
C(C1CC2C(C)(C)C3(C(C=C(C)C)OO2)OCc2c(O)cc(CCCCC)cc2OC(C)(C)C1C3)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 516.719

CB1 binding score: -15.283

InChIKey:
SNRYVJVJGMSKFN-UHFFFAOYSA-N

ID: 106249

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.433

CB1 binding score: -16.998

InChIKey:
UGDJUONGUOSPHL-UHFFFAOYSA-N

ID: 106250

SMILES:
c1(C)ccc(C)c2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -18.08

InChIKey:
LCGXPEFNSPKUIW-UHFFFAOYSA-N

ID: 106251

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(C(C=C(C)C)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -16.636

InChIKey:
PCSPTSIZDWJQNE-UHFFFAOYSA-N

ID: 106252

SMILES:
C1C2(C)Oc3cc(CCCC(C)C)cc(O)c3C=CC2C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -13.045

InChIKey:
UOXRMWJGZMOBBN-UHFFFAOYSA-N

ID: 106253

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C(O)=O)c(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -18.717

InChIKey:
JEXJLYDVFFARRG-UHFFFAOYSA-N

ID: 106254

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C1=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.591

InChIKey:
DQNYAQLPHKCXHA-UHFFFAOYSA-N

ID: 106255

SMILES:
C1CC(OC(=O)C)C(C(C)=C)C2C3Cc4c(O)cc(CCCCC)cc4OC3(C)CCC2C1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.677

CB1 binding score: -15.116

InChIKey:
XIDYFOXSLJZZTO-UHFFFAOYSA-N

ID: 106256

SMILES:
CCOc1c(C2C(C(C)C)CCC(C)=C2)cc(CCCCC)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.54

CB1 binding score: -13.504

InChIKey:
NCTVKRNGUYCIOD-UHFFFAOYSA-N

ID: 106257

SMILES:
Oc1c2c(cc(C(C(O)C(C)CC(C)CC)C)c1)OC(C)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.5

CB1 binding score: -16.281

InChIKey:
XZFFUOLXQOMLAA-UHFFFAOYSA-N

ID: 106258

SMILES:
c12c(cc(CCCCC)cc1OC)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 106259

SMILES:
Oc1cc(C)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 106260

SMILES:
O1C(C)(C)CC(c2c(O)cc(CCCCC)cc2O)C=C(CCC=C(C)C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.266

InChIKey:
UUWZWJNGUXJGAG-UHFFFAOYSA-N

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106240–106260 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