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Molecule Identifiers
Molecular Properties

ID: 102943

SMILES:
O1C(C)(CCC=C(C)C)C=Cc2c1c(CC=C(C)C)c(O)c(C1C=C(C)CCC1C(C)=C)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.675

CB1 binding score: -14.501

InChIKey:
OXLANDWOICDMEP-UHFFFAOYSA-N

ID: 102944

SMILES:
C(=C(C)C)CCC(O)(C1Cc2c(cc(CCCC)cc2O)O1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.502

InChIKey:
VXARRIDYYIVGGP-UHFFFAOYSA-N

ID: 102945

SMILES:
C12CC(Br)C(C)(C)Oc3cc(CCCCC(=O)NC(C(C)C)C(=O)O)ccc3C1C(=O)CCC2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 550.49

CB1 binding score: -15.465

InChIKey:
ZMLCIYFJZONOCG-UHFFFAOYSA-N

ID: 102946

SMILES:
c1(O)cc(CC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.957

InChIKey:
JJBMVXFZSLTKCL-UHFFFAOYSA-N

ID: 102947

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 102948

SMILES:
c1(C)c(Br)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 337.257

CB1 binding score: -16.909

InChIKey:
RYMLHYMKISHZSH-UHFFFAOYSA-N

ID: 102949

SMILES:
CCc1cc(O)c(O)c(C2C=C(C)CCC2C(=C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.086

InChIKey:
CRCYCISBLHBVHW-UHFFFAOYSA-N

ID: 102950

SMILES:
C(Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 102951

SMILES:
c12cc(C)c(O)cc1C1CC=C(C)C(=O)CC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -17.213

InChIKey:
WUYYVJVGSUSUHZ-UHFFFAOYSA-N

ID: 102952

SMILES:
COC1(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.024

InChIKey:
MVRKTZAGCVMDGH-UHFFFAOYSA-N

ID: 102953

SMILES:
c1(C)cc(OC(C)(C)C)c2c(c1)OC(C)(C)C=CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -15.499

InChIKey:
LMDKPCWXPUNMSL-UHFFFAOYSA-N

ID: 102954

SMILES:
c1c2c(cc(O)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.912

InChIKey:
JKUWZILTAIFPQY-UHFFFAOYSA-N

ID: 102955

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2=C1CCC1C2=CCC1(C)CCC=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 502.783

CB1 binding score: -13.593

InChIKey:
PKFQDAMGEMSMFL-UHFFFAOYSA-N

ID: 102956

SMILES:
C(c1cc(CCCCC)cc2c1-c1c(c(C)cc3c2CC(C)(C)O3)o1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.594

CB1 binding score: -13.127

InChIKey:
AESLYFHCFBCTCD-UHFFFAOYSA-N

ID: 102957

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(OC)c1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 102958

SMILES:
Cc1c(O)c(OC)c(C2C(C(C)=C)CCC(C)=C2)c(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -12.218

InChIKey:
JOXAVSWXQGZJND-UHFFFAOYSA-N

ID: 102959

SMILES:
C1C(C)CC(c2c(O)cc(CCC)cc2O)C(C(C)(C)O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -18.587

InChIKey:
KPBJTVIGTRQSAX-UHFFFAOYSA-N

ID: 102960

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1CC(C)=CCCC(C)=CCCC1(C)OC1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.706

CB1 binding score: -11.814

InChIKey:
BVOLNIABUGNAGC-UHFFFAOYSA-N

ID: 102961

SMILES:
O=Cc1cc(OC)c(O)c2c1-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.445

CB1 binding score: -14.388

InChIKey:
BEULYEQFKKEOKO-UHFFFAOYSA-N

ID: 102962

SMILES:
CC(=O)CCc1cc(C2C(C(C)=C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -17.083

InChIKey:
VPRIXUIJTACDTQ-UHFFFAOYSA-N

ID: 102963

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.705

InChIKey:
YKUNZXHVAIWLLV-UHFFFAOYSA-N

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102943–102963 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