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Molecule Identifiers
Molecular Properties

ID: 81544

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 81545

SMILES:
Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 81546

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.738

InChIKey:
GGQDIFOIULQGMW-UHFFFAOYSA-N

ID: 81547

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(=C)C1C2C(=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -13.496

InChIKey:
WFYOOJNSDUNROM-UHFFFAOYSA-N

ID: 81548

SMILES:
C1C=C(C)C2C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.334

InChIKey:
JRPARYVCKDQCGY-UHFFFAOYSA-N

ID: 81549

SMILES:
C1C2C34CCCC(C)(C3c3c(cc(CCCCC)cc3O)OC2(C)C(=O)O4)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -17.321

InChIKey:
XZVRUMRTDYFIEK-UHFFFAOYSA-N

ID: 81550

SMILES:
O1c2c(c(O)cc(CCCCCC)c2)C2CC(C)(C)CC2CC1C(O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.903

InChIKey:
KFUJFGWTHCQMOS-UHFFFAOYSA-N

ID: 81551

SMILES:
CC1(C)Oc2cc(C)c(O)c(CC3=C(C)c4cc(O)c(CCCCCC)cc4c32)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -16.519

InChIKey:
KKEMTRSRYZGEBI-UHFFFAOYSA-N

ID: 81552

SMILES:
C1(C)C2C(c3c(O)cc(CCCCC)cc3O1)OC(C=CC=C(CCC=C(C)C)C)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.679

CB1 binding score: -11.261

InChIKey:
YJQGTKOYVNQFTN-UHFFFAOYSA-N

ID: 81553

SMILES:
C1CC2(C)CCC(=C)C(C)C2Cc2c1cc(CCCCC)cc2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.524

CB1 binding score: -18.67

InChIKey:
BCORUMLYNLJZGN-UHFFFAOYSA-N

ID: 81554

SMILES:
CC1=CC2c3c(O)c(C(=O)C(C)C)c(O)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17

InChIKey:
WQYRNJBNQPTOAV-UHFFFAOYSA-N

ID: 81555

SMILES:
C1C(C)=C2CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -13.158

InChIKey:
NIERWWPEJBVAPW-UHFFFAOYSA-N

ID: 81556

SMILES:
c12ccc(S(=O)(O)=O)cc1OC(C)(C)C1CC=C(C)C(O)CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.517

CB1 binding score: -15.709

InChIKey:
JNGCMZJHXISISN-UHFFFAOYSA-N

ID: 81557

SMILES:
CC(C1C2c3c(O)c(C(=O)O)c(CCCCC)cc3OC(C)(C)C2CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -18.246

InChIKey:
XHVVIFQCBQBUEK-UHFFFAOYSA-N

ID: 81558

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.458

InChIKey:
LZFSGTNLAZDDKK-UHFFFAOYSA-N

ID: 81559

SMILES:
C(C)(C1C(C)(C(=O)OC)CCC(C2C3C(C)(CCC2=O)Oc2c(c(O)cc(CCCCC)c2)C3)C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.688

CB1 binding score: -15.844

InChIKey:
RMYVUDOVGIGFFN-UHFFFAOYSA-N

ID: 81560

SMILES:
C1(CO)=Cc2c(O)cc(CCCCC)cc2C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -14.453

InChIKey:
COHBLMDJLGHDCN-UHFFFAOYSA-N

ID: 81561

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.524

InChIKey:
YUFYVTJXPYAOBW-UHFFFAOYSA-N

ID: 81562

SMILES:
C1(C)=CC2C(C(C)(C)Oc3cc(O)cc(CCCCC)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.296

InChIKey:
SBDHCUZETSWOAX-UHFFFAOYSA-N

ID: 81563

SMILES:
C(CCCCCc1cc2c(c(OC)c1)C1(C)CC3(O2)OC(C)(C)C3CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -17.496

InChIKey:
JSXYJJGHXXIHFD-UHFFFAOYSA-N

ID: 81564

SMILES:
C1(C(C)=C)(CCC(C)=CCO)Oc2c(c(C)cc(O)c2)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.764

InChIKey:
QEFUAPSYVJWDGI-UHFFFAOYSA-N

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81544–81564 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