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Molecule Identifiers
Molecular Properties

ID: 76399

SMILES:
C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 76400

SMILES:
CC1(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: 76401

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2=C(C)CC(C)C(C)=C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.067

InChIKey:
VGZLNWRRSUJVGO-UHFFFAOYSA-N

ID: 76402

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.512

CB1 binding score: -16.439

InChIKey:
QPYRAPDKWIPGFW-UHFFFAOYSA-N

ID: 76403

SMILES:
C12c3c(cc(CCCCC)cc3O1)OC(CCC=C(CCC=C(C)C)C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -17.656

InChIKey:
TWNHJCBDUUUDHD-UHFFFAOYSA-N

ID: 76404

SMILES:
C(CCC1C2(C)C(CC3C(C)(C)Oc4cc(CCCCC)cc(O)c41)C(=CC2)C(OC)O3)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.721

CB1 binding score: -17.164

InChIKey:
MNSYSTSSVNDRNQ-UHFFFAOYSA-N

ID: 76405

SMILES:
Oc1c(O)c2c(cc1CCC)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.532

InChIKey:
LLRWEJCFJKNAIF-UHFFFAOYSA-N

ID: 76406

SMILES:
C1Oc2cc(C)cc(O)c2C2C=C(CCC3C(O)(C)CCC3C(=C)C)C(=O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -12.21

InChIKey:
YMPZFVDWGJMFLB-UHFFFAOYSA-N

ID: 76407

SMILES:
C(C)CCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.903

InChIKey:
DQIJFJFAQLIKDN-UHFFFAOYSA-N

ID: 76408

SMILES:
CC1(C)Oc2c3c(cc(CCCCC)c2)OC(C)(C)C2CCC(C)(CC12)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.903

InChIKey:
TVRUGVSLODNUTG-UHFFFAOYSA-N

ID: 76409

SMILES:
C123C4c5c(cc(CCCCC)cc5O)OC(O)(C1)C(C)(C)OC2OCC4C(=O)CC3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.514

CB1 binding score: -15.048

InChIKey:
ZMMVYQFARARHHR-UHFFFAOYSA-N

ID: 76410

SMILES:
c1(CC(=CCCC(CO)=CCc2c(O)cc(CCCCC)cc2O)C)cc(O)c(C)c(C=O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.617

CB1 binding score: -15.916

InChIKey:
XNWULIHMAMBRHI-UHFFFAOYSA-N

ID: 76411

SMILES:
Oc1c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.518

InChIKey:
WQNXPIDJGPWIFL-UHFFFAOYSA-N

ID: 76412

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 76413

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.418

CB1 binding score: -14.397

InChIKey:
FANXPAURDLVYMP-UHFFFAOYSA-N

ID: 76414

SMILES:
C(CC(OCc1cc(O)c2c(c1C=O)OC(C)(C)C1CCC(C)=CC12)=O)C=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.499

CB1 binding score: -15.873

InChIKey:
ZWHLEFAEKVETBP-UHFFFAOYSA-N

ID: 76415

SMILES:
C1=CC2C(CCC1(O)C)C(C)(C)Oc1c(c(O)cc(CCc3ccccc3)c1)C2O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.538

CB1 binding score: -14.73

InChIKey:
VKJZMTQTGDKODY-UHFFFAOYSA-N

ID: 76416

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 76417

SMILES:
CCCCCCc1cc2c(c(O)c1)C1C(C(C)(O)C)CCC(C)(C1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.627

InChIKey:
WKVIRZJNKJVJOP-UHFFFAOYSA-N

ID: 76418

SMILES:
C1=C(C)CCC2C(CO)(C)Oc3cc(C)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.796

InChIKey:
RARKGHFYSJYWAF-UHFFFAOYSA-N

ID: 76419

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -19.278

InChIKey:
LPBNLDPLKUJIEG-UHFFFAOYSA-N

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76399–76419 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