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Molecule Identifiers
Molecular Properties

ID: 133435

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)c-1c2)C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.491

CB1 binding score: Not available

InChIKey:
XHLGHQNJDGBNAV-UHFFFAOYSA-N

ID: 133436

SMILES:
C1CC2(C)C(C)(C)C1Cc1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.19

InChIKey:
SRRNYTIBHLJXMB-UHFFFAOYSA-N

ID: 133437

SMILES:
C(c1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C=C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.588

InChIKey:
JZEQHRTZXSCBRS-UHFFFAOYSA-N

ID: 133438

SMILES:
C1(c2c(O)c(O)cc(CCCCC)c2)C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
VEBHZTTZGZYZIW-UHFFFAOYSA-N

ID: 133439

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(C(C)=C)C=CC(C)(C1)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.671

InChIKey:
FKQTWISWALGIGA-UHFFFAOYSA-N

ID: 133440

SMILES:
C(Cc1c(O)c(C=O)c2c(c1OC)OC(C)(C)C1CCC(C)=CC21)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.165

InChIKey:
KHYSYIBKHJKSBD-UHFFFAOYSA-N

ID: 133441

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.028

InChIKey:
FNMJGJYVWXFPLV-UHFFFAOYSA-N

ID: 133442

SMILES:
O1c2c(c(O)cc(CCCCC)c2)CC1C(C)=CC=CC(CCc1cc(OC)c(O)c(OC)c1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.645

CB1 binding score: -13.714

InChIKey:
MKQUMCAZUUYLHF-UHFFFAOYSA-N

ID: 133443

SMILES:
CC(O)Cc1cc(O)c2c(c1)OC(C)(C)C1C2(C)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.888

InChIKey:
PIQORYSAOOQHPN-UHFFFAOYSA-N

ID: 133444

SMILES:
Cc1c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C2C=C(C)CCC2C(C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -16.771

InChIKey:
CVHFVDSCLVMDKV-UHFFFAOYSA-N

ID: 133445

SMILES:
CC(=CCc1c(O)cc2c(c1C(O)=O)c1c(c(OC)c2)C2C=C(C)CCC2C(C)(C)O1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.548

CB1 binding score: -15.02

InChIKey:
PVIWMLZXTGQNMF-UHFFFAOYSA-N

ID: 133446

SMILES:
C12CC(=O)c3c(c(O)cc(C)c3)C1C(=O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.289

CB1 binding score: -14.854

InChIKey:
OETZMGLQRHHNRU-UHFFFAOYSA-N

ID: 133447

SMILES:
Cc1c(C)cc2c(c1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -17.84

InChIKey:
KHIWHNITEDEHML-UHFFFAOYSA-N

ID: 133448

SMILES:
c12c(C(=O)OC)c(O)cc(O)c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -16.015

InChIKey:
JVSYWQXHTIBXRL-UHFFFAOYSA-N

ID: 133449

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 133450

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -18.014

InChIKey:
UPGHLBTWHYRBNS-UHFFFAOYSA-N

ID: 133451

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 399.575

CB1 binding score: -14.278

InChIKey:
IWLFPNMYGWXMFW-UHFFFAOYSA-N

ID: 133452

SMILES:
C(CCCc1cc2c(c(O)c1)C1=C(CCC(C)C1)C(C)(C)O2)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.716

InChIKey:
DGKUAUZLUDQNOD-UHFFFAOYSA-N

ID: 133453

SMILES:
c1(C)c(OC)cc(O)c2c1-c1c(O)cc(CCCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -15.293

InChIKey:
DVBGCGFUPKOGLI-UHFFFAOYSA-N

ID: 133454

SMILES:
O=C(NCC)COc1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 399.575

CB1 binding score: -15.93

InChIKey:
MNJDKNYNGUHYSX-UHFFFAOYSA-N

ID: 133455

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.801

InChIKey:
MISWBPJELUDMFI-UHFFFAOYSA-N

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133435–133455 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