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Molecule Identifiers
Molecular Properties

ID: 76672

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(c(C)cc(O)c2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.472

InChIKey:
MRMJKDJYMLWPGM-UHFFFAOYSA-N

ID: 76673

SMILES:
CC1=CC2C(C)(CCC=C(C)C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -16.569

InChIKey:
QMGNABXTZZZYLY-UHFFFAOYSA-N

ID: 76674

SMILES:
CCCCCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 76675

SMILES:
C(Cc1cc(O)c(C2C=C(CCC=C(C)C)C(=O)O2)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.642

InChIKey:
SPASQAHJKSUWKO-UHFFFAOYSA-N

ID: 76676

SMILES:
c1c2c(cc(CCCCC)c1)C1C(C(C)(C)O2)OCC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.194

InChIKey:
OJHLVNNYBHXWNP-UHFFFAOYSA-N

ID: 76677

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(CCC=C(C)C)C)(O)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -16.655

InChIKey:
WXGFOPNUMWMUIJ-UHFFFAOYSA-N

ID: 76678

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(C)CC1)C(O)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.033

InChIKey:
FHVANQIUAQGZAH-UHFFFAOYSA-N

ID: 76679

SMILES:
O(c1c(CCCCC)cc2c(c1O)C1C(C(C)(CCC=C(C)C)O1)CC2)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -12.141

InChIKey:
IAEZLQNSDNIHFI-UHFFFAOYSA-N

ID: 76680

SMILES:
OC(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.342

CB1 binding score: -17.869

InChIKey:
JZAGRKBCAAUEHG-UHFFFAOYSA-N

ID: 76681

SMILES:
c12c(O)cc(CCCCC)cc1OC1CC(C(CC=CC(=C)C)(C)O)C2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.625

InChIKey:
XIOATSJIGVUCKB-UHFFFAOYSA-N

ID: 76682

SMILES:
c1(CO)c2c(c(C=O)c(O)c1O)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -12.244

InChIKey:
NPCSRTQDCALOFL-UHFFFAOYSA-N

ID: 76683

SMILES:
CCCCCc1cc(O)c2c(c1)OC(c1ccc(OCC=C(C)CCC=C(C)C)cc1)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -15.054

InChIKey:
SCCWRWRRFNQHTC-UHFFFAOYSA-N

ID: 76684

SMILES:
C(O)C(C)=CCCC(C)=CCc1c(O)c2c(c(OC)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -15.628

InChIKey:
HVHRTZPLQZCMCW-UHFFFAOYSA-N

ID: 76685

SMILES:
CC(C)=CCC1C(C)=CCC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -15.955

InChIKey:
UXCSLGZLSRNLEJ-UHFFFAOYSA-N

ID: 76686

SMILES:
c1(CCCCC)cc(O)c2c(c1O)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.349

InChIKey:
PVWKYDHSQZSCHQ-UHFFFAOYSA-N

ID: 76687

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -14.758

InChIKey:
XMBOBIZTECXNTH-UHFFFAOYSA-N

ID: 76688

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.509

CB1 binding score: -14.039

InChIKey:
YKMALNKZOOBGNL-UHFFFAOYSA-N

ID: 76689

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 76690

SMILES:
C(C)(=CCc1c(O)c2c(c(C(=O)C(C)CC)c1O)OC(C)(C)C1CC(O)C(O)(C)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.584

CB1 binding score: -14.029

InChIKey:
DCRRQQXEWMKZEZ-UHFFFAOYSA-N

ID: 76691

SMILES:
c1(C)c(CCCCC)cc2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.218

InChIKey:
CNCURDLLOPZUIO-UHFFFAOYSA-N

ID: 76692

SMILES:
CC(=CCc1c(O)c(CC=C(C)CCC2C(C)(C)O2)cc(O)c1)CO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.015

InChIKey:
AVFYNTVRPOWCCI-UHFFFAOYSA-N

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76672–76692 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