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Molecule Identifiers
Molecular Properties

ID: 130138

SMILES:
C1C(=C)C2C=C(C(C)C)CCC3(C)C(O3)C2C(C)(C)Oc2c1cc(O)c(O)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -15.444

InChIKey:
AHEZTGLCQSECCK-UHFFFAOYSA-N

ID: 130139

SMILES:
CC1(C)C(O)CCC(C)(O)C1Cc1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.445

CB1 binding score: -13.892

InChIKey:
XHASWJRKUDKSKJ-UHFFFAOYSA-N

ID: 130140

SMILES:
c1cc(C(O)=O)cc2c1OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -19.478

InChIKey:
HNVKFYQXRFNXOU-UHFFFAOYSA-N

ID: 130141

SMILES:
C(c1ccc2cc1C(=O)C(O)C1(CCC(C(C)=C)C1)O2)CCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -14.906

InChIKey:
DRHGVKRGACIMKM-UHFFFAOYSA-N

ID: 130142

SMILES:
c1(C(C)(C)C)c2c(ccc1O)C=CC(C)(CCC=C(C)CCC=C(C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -16.159

InChIKey:
REWOGKJULYQGIP-UHFFFAOYSA-N

ID: 130143

SMILES:
C(Oc1cc(CCCCC)c(C(=O)O)c2c1C1C(C(C)(C)O2)CCC(O)(C)C1O)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.573

CB1 binding score: -14.854

InChIKey:
BRCJQYQVIYURDS-UHFFFAOYSA-N

ID: 130144

SMILES:
c1(C=O)c(O)c(C(CC)=O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -14.036

InChIKey:
QBCCDAQBCTZWBN-UHFFFAOYSA-N

ID: 130145

SMILES:
Cc1cc2c(c(OC)c1)C=CC(CCC=C(C)C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.372

InChIKey:
VRVBUCRQGHWYCT-UHFFFAOYSA-N

ID: 130146

SMILES:
C(CC)c1cc(O)cc2c1C1=CC(C)(C)OC1(C)CC2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -15.381

InChIKey:
YWGFEFSFJMACLK-UHFFFAOYSA-N

ID: 130147

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C=O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.255

InChIKey:
BGIBNWZALWRTHR-UHFFFAOYSA-N

ID: 130148

SMILES:
c1(C)c(O)c(C)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.211

InChIKey:
JNZOUUXWZQUWCU-UHFFFAOYSA-N

ID: 130149

SMILES:
COc1cc(OC)c(Br)c2c1C1CC(C2(C)C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 475.423

CB1 binding score: -14.02

InChIKey:
BKRNULMJJSUXMA-UHFFFAOYSA-N

ID: 130150

SMILES:
c1c(CC(N)C(=O)O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 331.412

CB1 binding score: -15.929

InChIKey:
NPJOKBABLBQNDH-UHFFFAOYSA-N

ID: 130151

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2OC(C)(CCC1O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.425

InChIKey:
GOVSBNLAPWPZNT-UHFFFAOYSA-N

ID: 130152

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 130153

SMILES:
C12C(C)(C)Oc3cc(C)cc(O)c3C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 130154

SMILES:
C1(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.029

InChIKey:
HCVJHHUJBXZYBI-UHFFFAOYSA-N

ID: 130155

SMILES:
C(O)CC(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.178

InChIKey:
UYZLHHCAEXDHDB-UHFFFAOYSA-N

ID: 130156

SMILES:
CC1=CC(c2c(O)cc(O)cc2C)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -17.388

InChIKey:
SLVGIWQSXTUCCM-UHFFFAOYSA-N

ID: 130157

SMILES:
C12C(C(C)(C)Oc3ccc(C)c(OC)c31)CCC(=C)CCC=C(C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.929

InChIKey:
PPYCGUCLVOYFID-UHFFFAOYSA-N

ID: 130158

SMILES:
O(C)c1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

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130138–130158 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