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Molecule Identifiers
Molecular Properties

ID: 137950

SMILES:
C1C(C2C(=O)C=CC2C)C2C(C)(CO)Oc3c(c(O)cc(C)c3)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -17.283

InChIKey:
IADWMPYTEFVVPL-UHFFFAOYSA-N

ID: 137951

SMILES:
C(CCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.188

InChIKey:
GGHRHCGOMWNLCE-UHFFFAOYSA-N

ID: 137952

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.957

InChIKey:
OANGEIYPAQYPQV-UHFFFAOYSA-N

ID: 137953

SMILES:
C(Cc1c(CC2C=C(C)C(O)CC2C(=C)C)c(O)cc(CCCCC)c1)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -14.295

InChIKey:
JDHCKOFFVIMZKW-UHFFFAOYSA-N

ID: 137954

SMILES:
C1C(C)=CC2c3c(cc(CCCCCCC)cc3OC2(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -15.049

InChIKey:
ZYEYZUQAMSADMC-UHFFFAOYSA-N

ID: 137955

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -16.317

InChIKey:
SGMZMRJUIFYMOB-UHFFFAOYSA-N

ID: 137956

SMILES:
C1(C)(CCC=C(C)C)OC(=O)c2c3c(c(OC)c(C(C(CC)C)=O)c21)C1C=C(C)CCC1C(C)(C)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.672

CB1 binding score: -17.224

InChIKey:
UCMLSIVEEVYMAF-UHFFFAOYSA-N

ID: 137957

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.431

InChIKey:
YOPNEMNEITVXDO-UHFFFAOYSA-N

ID: 137958

SMILES:
c1(C)cc2c(c(OC)c1)C1C(c3ccc(O)cc3)C(C)(C)OC1C=CC(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.511

CB1 binding score: -11.891

InChIKey:
BVINLVYTGIOMLK-UHFFFAOYSA-N

ID: 137959

SMILES:
c1(O)c2c(ccc1CCCCC)OC(C)(C)C1CCC(C)=CCCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.921

InChIKey:
NEMUAAHMFQQNGM-UHFFFAOYSA-N

ID: 137960

SMILES:
C(CCC)Cc1cc(OC(=O)C)c(CC=C(C)CCC=C(C)C)c(O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -16.476

InChIKey:
YATBZYFDKSMJAD-UHFFFAOYSA-N

ID: 137961

SMILES:
C12(C)CCCC(C)(C)C1(O)C=C(C)C(O)(Cc1c(O)cc(CCC)cc1O)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -14.543

InChIKey:
CMVZLTIVOUQPBI-UHFFFAOYSA-N

ID: 137962

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -17.957

InChIKey:
MMOUECRGOJAVPX-UHFFFAOYSA-N

ID: 137963

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 137964

SMILES:
c12c(cc(CCCCC)cc1O)C1=CC(C)(C)OC1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.353

InChIKey:
DBZBGNHCVIQJFW-UHFFFAOYSA-N

ID: 137965

SMILES:
O=C(C=C)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.382

CB1 binding score: -14.053

InChIKey:
TVKUGEBCGOGTSM-UHFFFAOYSA-N

ID: 137966

SMILES:
COc1c(O)c2c(cc1CCCCC)OC(C)(C)C1=CCC(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.171

InChIKey:
XKKVVZWSSODDPD-UHFFFAOYSA-N

ID: 137967

SMILES:
c12cc(CCCCC)cc(O)c1C1C(=C(C)C)C(=O)CC(C)(O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.466

InChIKey:
WMBBEZKSSICJRO-UHFFFAOYSA-N

ID: 137968

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 137969

SMILES:
C1(C(C)(C)O)CCC2(C)C1c1c(O)c(C(=O)O)c(CCCCC)cc1OC2(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.519

CB1 binding score: -14.572

InChIKey:
GRXGLDRFWCRSSG-UHFFFAOYSA-N

ID: 137970

SMILES:
C1(C)(CCC=C(C)C)C2c3c(O)c(C(=O)O)c(CCc4ccccc4O)cc3OC(C)(C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.629

CB1 binding score: -16.038

InChIKey:
AFSFBFCEENYGAR-UHFFFAOYSA-N

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137950–137970 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