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Molecule Identifiers
Molecular Properties

ID: 141142

SMILES:
C1C2(C(C)(C)C)Oc3c(c(O)cc(CCCCC)c3)C2CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.764

InChIKey:
POTWLTRUBUICSY-UHFFFAOYSA-N

ID: 141143

SMILES:
COc1c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 141144

SMILES:
CCCCc1cc(OC)c2c(c1O)OC(C)(CCC=C(CCC=C(C)C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.167

InChIKey:
KFOUSUFBWPDMCE-UHFFFAOYSA-N

ID: 141145

SMILES:
c1(C(C)(CCCOC(C)=O)C)c(O)c(C)cc2c1CC(O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.455

CB1 binding score: -13.593

InChIKey:
CYYSTIUPSNBUIR-UHFFFAOYSA-N

ID: 141146

SMILES:
C1CC(C)=CC2c3c(cc(CCCCC)cc3OC)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 141147

SMILES:
C1C=C(C)CC2c3c(O)c(C(=O)O)c(CCCCC)cc3OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.507

InChIKey:
YKKHSYLGQXKVMO-UHFFFAOYSA-N

ID: 141148

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCC)cc2OC)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.099

InChIKey:
NBMJMYIBJIBJAJ-UHFFFAOYSA-N

ID: 141149

SMILES:
c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C(C(CC)C)=O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.502

InChIKey:
GAPLVBPBSXUGJI-UHFFFAOYSA-N

ID: 141150

SMILES:
C(C(C)(C(C1c2c(ccc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC12)O)O)(CC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.684

CB1 binding score: -15.306

InChIKey:
HFZADKNHJZXGEF-UHFFFAOYSA-N

ID: 141151

SMILES:
CC1(C)OC(CC(=O)OC)(C)CC1c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.595

CB1 binding score: -15.369

InChIKey:
WEFDLYDTBIXCNY-UHFFFAOYSA-N

ID: 141152

SMILES:
O=C(C)Oc1c(OC(=O)C)c(OC(C)=O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.443

CB1 binding score: -17.49

InChIKey:
FLRJEAJKYWTBLB-UHFFFAOYSA-N

ID: 141153

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -17.644

InChIKey:
JMTRFGSFEHNUAR-UHFFFAOYSA-N

ID: 141154

SMILES:
c1c(O)c(C2C=C(C)CCC2C(C)=C)cc(O)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.204

InChIKey:
MCOHBLINZXMLKV-UHFFFAOYSA-N

ID: 141155

SMILES:
c1(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 141156

SMILES:
Oc1c(C2C(C(C)=CCC=C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -18.691

InChIKey:
SMVYPIPXPDDZTD-UHFFFAOYSA-N

ID: 141157

SMILES:
CC1(C)C2CC(=O)C(C)CC2c2c(cc(O)cc2C(=O)OC)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -15.251

InChIKey:
HRBHXHPQHBIECD-UHFFFAOYSA-N

ID: 141158

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -13.522

InChIKey:
FFENROFFZZVOTJ-UHFFFAOYSA-N

ID: 141159

SMILES:
C(c1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.524

CB1 binding score: -15.325

InChIKey:
NLZCLTQQJIFFJV-UHFFFAOYSA-N

ID: 141160

SMILES:
C1CC(CO)=CC(c2c(O)cc(CCC)cc2O)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -19.497

InChIKey:
SAAKWLWLDDSXCQ-UHFFFAOYSA-N

ID: 141161

SMILES:
CC(=CCc1c(OC)cc(CCCCC)cc1OC(C)=O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.448

InChIKey:
BLHJFCSIQWXPFZ-UHFFFAOYSA-N

ID: 141162

SMILES:
C(N)Cc1cc(O)c(C2C=C(C)CC(C3C(C)(C)O3)O2)c(OC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 333.428

CB1 binding score: -12.646

InChIKey:
PBBXPZFUSFBIRY-UHFFFAOYSA-N

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141142–141162 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