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Molecule Identifiers
Molecular Properties

ID: 140533

SMILES:
CCCCCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 140534

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 140535

SMILES:
C1(C)(O)C=CC(C(C)=C)CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -14.078

InChIKey:
JKCYBRLRRSNANC-UHFFFAOYSA-N

ID: 140536

SMILES:
C(CCc1c(O)cc2c(c1)OC(C)(C)C1C2C=C(C=O)CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -20.531

InChIKey:
BUXBKBWRSSGELB-UHFFFAOYSA-N

ID: 140537

SMILES:
C(CC)Cc1cc(O)c(C2C=C(C)CCC2C(C)C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.459

CB1 binding score: -17.81

InChIKey:
KVDBNLOKWYLSLD-UHFFFAOYSA-N

ID: 140538

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCCCC)cc1O)(C=C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -13.489

InChIKey:
ZNUITXIQHATNTB-UHFFFAOYSA-N

ID: 140539

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 140540

SMILES:
C(C=CC(C)C)C(C)=CCc1c(O)cc(CCCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -14.344

InChIKey:
YMMQWNJAXVLWEG-UHFFFAOYSA-N

ID: 140541

SMILES:
C1C(C(=C)C)C(c2c(O)c(OC)cc(CCCCC)c2)CC(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -14.605

InChIKey:
GZUKORJZAKBESY-UHFFFAOYSA-N

ID: 140542

SMILES:
OC(CC=CC1(C)CC(O)C(C)=CC1c1c(O)cc(CCc2ccccc2)cc1O)C(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.618

CB1 binding score: -15.306

InChIKey:
LQPLCRFHOUUHNI-UHFFFAOYSA-N

ID: 140543

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 140544

SMILES:
c12c(cc(C)c(Br)c1)OC(C)(CCCC(C)(C)Br)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.17

CB1 binding score: -13.886

InChIKey:
RJXBKXWTQHAIFW-UHFFFAOYSA-N

ID: 140545

SMILES:
C(CCC(C1CCC(C)=CC1c1c(O)cc(C(O)CCCC)cc1O)=O)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.929

InChIKey:
RRLWFTXKQGFHAD-UHFFFAOYSA-N

ID: 140546

SMILES:
C(CO)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.056

InChIKey:
VBLSBSHFNIGWDA-UHFFFAOYSA-N

ID: 140547

SMILES:
c1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.801

InChIKey:
MISWBPJELUDMFI-UHFFFAOYSA-N

ID: 140548

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 140549

SMILES:
c1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.225

InChIKey:
BEXSRXTVRHPHGL-UHFFFAOYSA-N

ID: 140550

SMILES:
c1c(CCCCC)c(C2C(C(=C)C)CCC(C)=C2)c(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.498

CB1 binding score: -14.044

InChIKey:
ZMPFGBMDZQMTSX-UHFFFAOYSA-N

ID: 140551

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2OC)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 140552

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -17.706

InChIKey:
FBXSVXARSUKKDJ-UHFFFAOYSA-N

ID: 140553

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

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140533–140553 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