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Molecule Identifiers
Molecular Properties

ID: 118231

SMILES:
CC(O)(C1Oc2cc(CCCCC)cc(O)c2C2C(C(CCC=C(C)C)C)CCC21C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.684

CB1 binding score: -14.84

InChIKey:
QILQDJLDDVYDGJ-UHFFFAOYSA-N

ID: 118232

SMILES:
CC1(C)C2(O)C(C=C(C)CC2)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.56

InChIKey:
VBPOXSBFZQHISD-UHFFFAOYSA-N

ID: 118233

SMILES:
CC(O)CCCC(C)=CCc1cc2c(c(O)c1)OC(C)(C)C1C2CC(=O)C(=C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: Not available

InChIKey:
AWVJCWOQCYXMEL-UHFFFAOYSA-N

ID: 118234

SMILES:
CC1(O)C=CC2C(C1)c1c(O)cc(C)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.079

InChIKey:
XZJVINHJEOODON-UHFFFAOYSA-N

ID: 118235

SMILES:
Clc1c(O)cc(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.779

CB1 binding score: -16.387

InChIKey:
AGVSVRUMLVKNSE-UHFFFAOYSA-N

ID: 118236

SMILES:
C1CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C(O)C2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.96

InChIKey:
DDIVQORSYYKRDX-UHFFFAOYSA-N

ID: 118237

SMILES:
CC(C)(O)C(=O)CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -14.641

InChIKey:
KYAVTGXWDVEFLX-UHFFFAOYSA-N

ID: 118238

SMILES:
CC1=CC(c2c(O)cc(CCC)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 118239

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 118240

SMILES:
C1C(C(C(CC(C)=CCc2c(O)c(C)cc(OC)c2)=C)O)OC(CC)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -12.292

InChIKey:
SRFLWZMHPAZXFS-UHFFFAOYSA-N

ID: 118241

SMILES:
C12(C)Oc3c(C(C)C)cc4c(c3OC1CC(C)=CC2)C(O)C(C)(C)O4

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.24

InChIKey:
XPHJIKBBFLHSSK-UHFFFAOYSA-N

ID: 118242

SMILES:
CC1(CCC(=O)C(C)C)C2CC(O)C(C)=CC2c2c(O)cc(CCCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -16.502

InChIKey:
ZHRRGLLQHCRLQS-UHFFFAOYSA-N

ID: 118243

SMILES:
C1(C)=CC(c2cc(CCC#CC(=O)O)ccc2OC)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -13.959

InChIKey:
VSURUOQISKQEFA-UHFFFAOYSA-N

ID: 118244

SMILES:
C(CCC(=CCCC1(C)C(O)Cc2c(O)cc(CCCCCCC)cc2O1)C)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.657

CB1 binding score: -15.101

InChIKey:
ATVMLYFVZHOJJE-UHFFFAOYSA-N

ID: 118245

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1COC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -19.773

InChIKey:
ILHSUWMZKIAMCQ-UHFFFAOYSA-N

ID: 118246

SMILES:
c1(O)cc(CCCCC)cc2c1C1CC(C(=C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
KKGGNLGHOSMNOH-UHFFFAOYSA-N

ID: 118247

SMILES:
C(=CCCC(C)=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.631

CB1 binding score: -15.015

InChIKey:
XUEHYSPUIQMVIF-UHFFFAOYSA-N

ID: 118248

SMILES:
C1CC(C(C)(O)C)C(c2c(O)cc(CCCCC)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 118249

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCCCCCCCCCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.82

CB1 binding score: -17.083

InChIKey:
HYFMDXPESIMUMX-UHFFFAOYSA-N

ID: 118250

SMILES:
C(c1cc(O)c2c(c1)OC1(C)CCCC(C)(C)C1C2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 288.431

CB1 binding score: -18.4

InChIKey:
IYJFZOBKCYBWAD-UHFFFAOYSA-N

ID: 118251

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CC=C(CO)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

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118231–118251 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