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Molecule Identifiers
Molecular Properties

ID: 47167

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1cc(C)ccc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.037

InChIKey:
TWNNHTGNOPUEHO-UHFFFAOYSA-N

ID: 47168

SMILES:
C1CCC(CCC=C(CO)C)(C)C(c2c(O)cc(CCCCC)cc2O)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.592

CB1 binding score: -16.927

InChIKey:
YSYSGJJEGZMXQT-UHFFFAOYSA-N

ID: 47169

SMILES:
CC1(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: 47170

SMILES:
C(CCc1cc(O)cc2c1C1C(C(C)(C)O2)CCC(=C)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.344

InChIKey:
QPDRNVOPOVHCKN-UHFFFAOYSA-N

ID: 47171

SMILES:
c1(O)c2c(cc(C)c1CCOCC)OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -13.24

InChIKey:
XVWKRCOMWDWAFL-UHFFFAOYSA-N

ID: 47172

SMILES:
C12(C)Oc3c(c(O)cc(CCCCCC)c3)C(O)C1C(C)(C)C(OC(=O)C(C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.601

CB1 binding score: -15.443

InChIKey:
BZLCYJDJIQUQNE-UHFFFAOYSA-N

ID: 47173

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC(O)C(C)(O)C=C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.541

InChIKey:
CXNPIPUYSSQDLT-UHFFFAOYSA-N

ID: 47174

SMILES:
C(C1C=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C21)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.624

InChIKey:
DQWWCTRQZKYACL-UHFFFAOYSA-N

ID: 47175

SMILES:
C1Cc2c(cc(CC=C(COC(C)=O)CCC3C(C)(C)O3)cc2O)C(=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -13.797

InChIKey:
VKFWYWPTGBBAGM-UHFFFAOYSA-N

ID: 47176

SMILES:
C1CC(=C(C)C)C(=O)C(O)=C1CCCC(=CCc1c(OC)c(C)cc(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -13.142

InChIKey:
SCCAMPRMDDQGGJ-UHFFFAOYSA-N

ID: 47177

SMILES:
C1(C(C)=C)Cc2c(cc(O)cc2C)OC1(CCCCCCCC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -15.689

InChIKey:
NQUIQPPSVTVXLX-UHFFFAOYSA-N

ID: 47178

SMILES:
C(CCCCCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -18.334

InChIKey:
HXPWAXPFMKPESR-UHFFFAOYSA-N

ID: 47179

SMILES:
C1(C)(C)OC2CC3(C(C)(CCCC(O)(C)C)Oc4cc(C)c(O)cc43)OC2=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -11.876

InChIKey:
NXWJKLCJODALRC-UHFFFAOYSA-N

ID: 47180

SMILES:
O=C(C)Oc1ccc(CCCCC)cc1C1C=C(C)CCC1C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.733

InChIKey:
IKLWNRALYBUBCF-UHFFFAOYSA-N

ID: 47181

SMILES:
C1(=C)C2C(C)(CCC3C(C)(C)C3C=C(C)CC=C(C)CC2)Oc2c(c(O)cc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.745

CB1 binding score: -13.705

InChIKey:
PPLUWRYIIVIUBU-UHFFFAOYSA-N

ID: 47182

SMILES:
C(CCC=C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -15.929

InChIKey:
YYTOCOJXXZLSFH-UHFFFAOYSA-N

ID: 47183

SMILES:
C12C(C)(C)C3(CCC(=CCc4c(O)c(C)cc(OC)c4)C(O1)CC2)C(=O)c1ccccc1C3=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 460.57

CB1 binding score: -12.991

InChIKey:
JNRPDUVMBYNGSV-UHFFFAOYSA-N

ID: 47184

SMILES:
C12c3c(cc(CCCCC)cc3O)OC(C=C(C=CC=C(C)C)C)(CC1(C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.626

CB1 binding score: -14.793

InChIKey:
DCMQHHOJDHFODN-UHFFFAOYSA-N

ID: 47185

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.791

InChIKey:
ORKZJYDOERTGKY-UHFFFAOYSA-N

ID: 47186

SMILES:
CC1=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.487

CB1 binding score: -19.108

InChIKey:
KCGRQTUOQYSEJY-UHFFFAOYSA-N

ID: 47187

SMILES:
C(CCCC)Cc1cc(O)c(CC=C(CCC=C(C)C)C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.784

InChIKey:
BBIRKFDEXAZOPO-UHFFFAOYSA-N

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47167–47187 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