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Molecule Identifiers
Molecular Properties

ID: 82153

SMILES:
c1c(C)c(CC=C(C)C)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.481

CB1 binding score: -17.028

InChIKey:
YEHHXENNERNCRB-UHFFFAOYSA-N

ID: 82154

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -17.514

InChIKey:
PADIWBOIDQMHSZ-UHFFFAOYSA-N

ID: 82155

SMILES:
C1C2C(C)(Oc3c(c(OC)cc(CCCCC)c3)C2)C=CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.022

InChIKey:
UYNAORWIRBKWCX-UHFFFAOYSA-N

ID: 82156

SMILES:
C(c1cc(O)c(C2CC(C)=CC(c3cc(O)c(OC)cc3CCC(=O)O)C2C(=C)C)cc1)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.547

CB1 binding score: -16.282

InChIKey:
NJAJEDMRLMYAEM-UHFFFAOYSA-N

ID: 82157

SMILES:
CC(=CCCC(C)=CCOc1c(O)cc(CCCCC)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.108

InChIKey:
HUOSBKDCWCFSDM-UHFFFAOYSA-N

ID: 82158

SMILES:
COc1cc(C)c2c(c1)CCC(=CCc1c(O)c(C)cc(OC)c1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -16.502

InChIKey:
KWUJUBJISZCINY-UHFFFAOYSA-N

ID: 82159

SMILES:
C(CCCC)CCCCC(c1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.519

InChIKey:
HWRSYOHAFWTAHY-UHFFFAOYSA-N

ID: 82160

SMILES:
C(=CCCC1(C)Oc2c(c(O)cc(CCCC)c2)C(=O)C1)=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -13.031

InChIKey:
KPEZOIZBOFJFPR-UHFFFAOYSA-N

ID: 82161

SMILES:
CCC(C)C(=O)c1cc(O)c(C2C=C(C)C(O)CC2C(=C)C)cc1C(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -13.767

InChIKey:
GCSNXLBTURIIOR-UHFFFAOYSA-N

ID: 82162

SMILES:
CC1(C)Oc2c(cc(O)cc2CCC)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 220.312

CB1 binding score: -17.814

InChIKey:
VWCADXTZIRZTGK-UHFFFAOYSA-N

ID: 82163

SMILES:
C12C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)C=C(C(C)=C)CCC(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -14.883

InChIKey:
YIAWVPJHOVTMPH-UHFFFAOYSA-N

ID: 82164

SMILES:
C1(O)C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 82165

SMILES:
c1(CCCCC)cc2c(c(OC)c1)OC(CCC1(O)C(C)(C)O1)(C)C=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -17.428

InChIKey:
ABEWBKVYHLGGSC-UHFFFAOYSA-N

ID: 82166

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -17.395

InChIKey:
KCFUKRVIVSAJDP-UHFFFAOYSA-N

ID: 82167

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 82168

SMILES:
c12c(cc(CCC)cc1O)OC(C)(CCC=C(C)C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

ID: 82169

SMILES:
c1(C2C=C(C)CCC2C(C)=C)c(O)cc(C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 82170

SMILES:
CNCCc1cc(C2C=C(CCC=C(C)C)CCC2C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 327.512

CB1 binding score: -16.251

InChIKey:
DOYUXIQRXXJOMW-UHFFFAOYSA-N

ID: 82171

SMILES:
C1=C(C)CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 82172

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCCCC)c(O)c2)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.048

InChIKey:
FUZJMTMPVZRGQF-UHFFFAOYSA-N

ID: 82173

SMILES:
C(C(c1cc2c(c(O)c1)C1C=C(C=O)CCC1C(C)(C)O2)C)CC(CC)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.678

InChIKey:
PFHWXDQPQOQGCH-UHFFFAOYSA-N

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82153–82173 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