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Molecule Identifiers
Molecular Properties

ID: 71506

SMILES:
c1(CCc2cc(O)c(C3C=C(C)CCC3C(C)=C)c(O)c2)ccc(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -18.334

InChIKey:
QLPVCOQUNQFEAZ-UHFFFAOYSA-N

ID: 71507

SMILES:
O=C1OC2C3C(C)(C)CCCC13c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.239

InChIKey:
UBLKZPSABMWILH-UHFFFAOYSA-N

ID: 71508

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.479

InChIKey:
FCKILBNRTKOFAR-UHFFFAOYSA-N

ID: 71509

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C=O)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.255

InChIKey:
BGIBNWZALWRTHR-UHFFFAOYSA-N

ID: 71510

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(C)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.388

InChIKey:
SPQILLGTJLAJPN-UHFFFAOYSA-N

ID: 71511

SMILES:
C1(C(C)C)=CCC(C)=CC1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.493

InChIKey:
GOHCAWGXCQBVKC-UHFFFAOYSA-N

ID: 71512

SMILES:
c12c(cc(CCCCC)cc1)OC(C)(C)c1c-2c(O)c2c(c1O)CC(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -9.192

InChIKey:
LHFBCEUAZPMFLR-UHFFFAOYSA-N

ID: 71513

SMILES:
CC1(C)C2CCC(C)=CC2c2cc(C(O)=O)ccc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -19.478

InChIKey:
HNVKFYQXRFNXOU-UHFFFAOYSA-N

ID: 71514

SMILES:
C12C(C)CC=C1C(C)(C)Oc1c(c(O)cc(CCCCC)c1O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.508

InChIKey:
HFNBJWFIJXARNQ-UHFFFAOYSA-N

ID: 71515

SMILES:
c1(C(=O)C(C)CC)c(O)c2c(cc1)OC(C)(C)C1C2CC1(C)CCC=C(C(O)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -13.944

InChIKey:
WOOMWHQNPGUGOC-UHFFFAOYSA-N

ID: 71516

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1CC3C(=C)CCC(C)(C)C3C2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -13.716

InChIKey:
YHLIJDZEZDQTJT-UHFFFAOYSA-N

ID: 71517

SMILES:
c1(CCCCCC)cc2c(c(O)c1)C1C(C(O)(C)CCC2C(CCC=C(C)C)=C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -15.807

InChIKey:
HFYJJBQBZYBVTN-UHFFFAOYSA-N

ID: 71518

SMILES:
c12c(OC)cc(CCCCC)c(C(=O)CCCCC)c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -14.638

InChIKey:
KADIBAZQFADLKM-UHFFFAOYSA-N

ID: 71519

SMILES:
C(C)(CCC=C(CCC=C(C)C)C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.647

CB1 binding score: -17.892

InChIKey:
YMOPWTOOBMUWAW-UHFFFAOYSA-N

ID: 71520

SMILES:
C1CC2C(C)(C)Oc3cc(C(CCC)=O)c(CCCCC)cc3C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.124

InChIKey:
KXHOBFGWAXEGCZ-UHFFFAOYSA-N

ID: 71521

SMILES:
CCCCCc1ccc(O)c2c1OC(CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.761

InChIKey:
PBZDDVXDWXNWKR-UHFFFAOYSA-N

ID: 71522

SMILES:
CC1CC(C=C(C)C)c2c(ccc(C)c2)-c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.556

CB1 binding score: -16.885

InChIKey:
NYCTZLVIJLHIOP-UHFFFAOYSA-N

ID: 71523

SMILES:
C(CC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(CO)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -19.932

InChIKey:
YRIJETKCLFDWJX-UHFFFAOYSA-N

ID: 71524

SMILES:
CC(C(Cc1c(O)c(C(C(CC)C)=O)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -18.922

InChIKey:
CPQOXEORDDKEKM-UHFFFAOYSA-N

ID: 71525

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(CO)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 71526

SMILES:
C(=CCC1(C)C2(C)C(CCC1=O)Oc1cc(CCCCCO)cc(O)c12)C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -16.346

InChIKey:
KQQAGHIAFGDABH-UHFFFAOYSA-N

3403340434053406340734083409
71506–71526 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