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Molecule Identifiers
Molecular Properties

ID: 127282

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 127283

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 127284

SMILES:
C1(C(=C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 127285

SMILES:
C12C(CC(C)(O)C)c3c(c(O)cc(CCCCC)c3)OC1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.751

InChIKey:
UBHOGIHWVQVWTI-UHFFFAOYSA-N

ID: 127286

SMILES:
C1(O)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C(=C)CCC2C(CCC(O)C(C)=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -12.838

InChIKey:
ZSZNFVQXQULCDD-UHFFFAOYSA-N

ID: 127287

SMILES:
C12(C)CC(=O)C(C)=CC1c1c(O)cc(CCCCC)cc1OC2C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -15.629

InChIKey:
NFXYSPVDILVPPA-UHFFFAOYSA-N

ID: 127288

SMILES:
c12c(c3c(c(=O)o1)C(CC(C)C)c1c(cc(CCCCC)cc1O)O3)C(CC=C(C)C)C1(C)C(C2OC(C)=O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 550.692

CB1 binding score: -15.047

InChIKey:
PFGFBWWWUWYTEI-UHFFFAOYSA-N

ID: 127289

SMILES:
C1(C(=C)C)C(c2c(OC)cc(CCCCC)cc2OC)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.878

InChIKey:
UYBGHBAVRNATET-UHFFFAOYSA-N

ID: 127290

SMILES:
CC1CCC(C(C)(O)C)C1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.419

CB1 binding score: -15.339

InChIKey:
NXEACHUXRXBQIA-UHFFFAOYSA-N

ID: 127291

SMILES:
CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 127292

SMILES:
c1(C)c(OC2OC(COC(=O)Cc3ccc(O)cc3)C(O)C(O)C2O)c2c(c(OC)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 584.662

CB1 binding score: -13.755

InChIKey:
YKBVLNSUQSFLTQ-UHFFFAOYSA-N

ID: 127293

SMILES:
c1(O)c2cc(cc1CCCCC)OC1(C)C3(O2)C(O)(C(C)(C)C3)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -13.966

InChIKey:
CCTQFFSRDZIHPN-UHFFFAOYSA-N

ID: 127294

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 127295

SMILES:
O1c2c(CC=C(C)C)c(O)c(C(OC)=O)c(O)c2C2C=C(CCC(O)C1(C)C)C(C)=CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.606

CB1 binding score: -13.306

InChIKey:
DYOMKURGPOCXTM-UHFFFAOYSA-N

ID: 127296

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 127297

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 127298

SMILES:
CC1(C)C2C(c3c(O)cc(CCCCC)cc3O1)CC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 127299

SMILES:
c1(C)cc2c(cc1)C(C)(C)Oc1c-2cc(CCC=C(C)C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.448

CB1 binding score: -14.121

InChIKey:
YLHZBJREJRGHBK-UHFFFAOYSA-N

ID: 127300

SMILES:
Oc1c(C2C(C(C)=C)CC(Cl)C(C)(O)CC2)cc(CCCCC)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.957

CB1 binding score: -14.136

InChIKey:
ISPGYGBMHVNOBH-UHFFFAOYSA-N

ID: 127301

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(C)C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.491

InChIKey:
MENBFTCDHIEHSW-UHFFFAOYSA-N

ID: 127302

SMILES:
C(CC1CC(C)(C)Oc2cc(CCCCC)cc(O)c21)C(C(CO)O)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.498

CB1 binding score: -11.666

InChIKey:
FCHKOTVNKZPMSV-UHFFFAOYSA-N

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127282–127302 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