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Molecule Identifiers
Molecular Properties

ID: 108949

SMILES:
O=C1C(C)=CC(c2c(OC)cc(CCCCC)cc2O)C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -18.417

InChIKey:
WKNDXJXENAPUOX-UHFFFAOYSA-N

ID: 108950

SMILES:
C(c1cc(O)c(C2C(C(C)C)(O)CCC(C)=C2)c(O)c1)C(C)(C)CO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.427

InChIKey:
BWBMQKPKXGPIAS-UHFFFAOYSA-N

ID: 108951

SMILES:
C12CC=C(C)C1(OC)c1c(cc(C)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -13.96

InChIKey:
WOXFSDFOHLIIDW-UHFFFAOYSA-N

ID: 108952

SMILES:
CC1(C)Oc2cc(CCCCC)cc(OC)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 108953

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 108954

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C(O)=O)CCC2C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17.105

InChIKey:
JUOBYKAWBVCAIM-UHFFFAOYSA-N

ID: 108955

SMILES:
C1(CCC=C(C)C)(C)C=Cc2cc(O)c(CC[N+](=C)C)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.449

CB1 binding score: -16.24

InChIKey:
BMJWVGLDHGEGLD-UHFFFAOYSA-O

ID: 108956

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 108957

SMILES:
C12=CC3(C)Oc4cc(CCCCC)cc(C(O)=O)c4C(C1C(C)(CCC=C(C)C)C2)C3=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -14.086

InChIKey:
OEEIJTRHADLFJH-UHFFFAOYSA-N

ID: 108958

SMILES:
O(C)c1cc(CCCCC)cc2c1C=CC(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.06

InChIKey:
KSDSETBZUIJIFF-UHFFFAOYSA-N

ID: 108959

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 108960

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.585

InChIKey:
DNTBFILTGOCICF-UHFFFAOYSA-N

ID: 108961

SMILES:
c1(CCC(OC)=O)cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -14.062

InChIKey:
DWXDWBFBEQPYQN-UHFFFAOYSA-N

ID: 108962

SMILES:
C12C=C(C)C3CC(CC=C(CCCC(C)=C)C1(C)Oc1ccc(O)cc12)C3=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.54

CB1 binding score: -13.867

InChIKey:
GFZIPPFIYFBCCF-UHFFFAOYSA-N

ID: 108963

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(C(=C)C)C(C3CC4CC(C)(C3CO)C24)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -16.473

InChIKey:
CMKPMALUYIDOOW-UHFFFAOYSA-N

ID: 108964

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1C(C)CC=C2C(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -13.734

InChIKey:
GVGNDCBXEMOZKR-UHFFFAOYSA-N

ID: 108965

SMILES:
C(CC)Cc1c(O)c2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -18.466

InChIKey:
BXPQSBHZZIHXSC-UHFFFAOYSA-N

ID: 108966

SMILES:
C(c1c(O)cc(O)c(CC=C(C)CCC=C(C)C)c1OC)CCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.622

InChIKey:
DRONRUQLTPWFQW-UHFFFAOYSA-N

ID: 108967

SMILES:
C12(C)CCC(C(C)=C)C(c3c(OC)cc(CCCCC)cc31)CC(C)=CCC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.616

CB1 binding score: -13.933

InChIKey:
FRSHBMMRVOVJNI-UHFFFAOYSA-N

ID: 108968

SMILES:
OC(=O)c1c(O)c2c(cc1C)OC(C)(C)C1CC=C(CO)CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -15.288

InChIKey:
XMWLWLRTIADPPQ-UHFFFAOYSA-N

ID: 108969

SMILES:
C(CCC)c1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -17.373

InChIKey:
GHBFJCDPLVEKFY-UHFFFAOYSA-N

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108949–108969 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