Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16032
- Core Entity Id
- 20988
- Source Entity Count
- 1
- Preferred Name
- Cypera-2,4-diene
- Name En
- Pubchem Id
- 74819450
- Smiles Canonical
- CC1CCC2CC3=C(C=CC13C2(C)C)C
- Molecular Formula
- C15H22
- Molecular Weight
- 202.3410
- Inchikey
- DPHLFUXQEZYZAP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H22/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h7-8,11-12H,5-6,9H2,1-4H3
- Isomeric Smiles
- CC1CCC2CC3=C(C=CC13C2(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.3351
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cypera-2,4-diene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cypera-2,4-diene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cypera-2,4-diene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cypera-2,4-diene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
看麦娘状莎草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KAN MAI NIANG ZHUANG SHA CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Foxtail-like Galingale
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3aS,4R,7R)-1,4,9,9-Tetramethyl-5,6,7,8-tetrahydro-4H-3a,7-methanoazulene
Role
alias
Source
HERB_v2
Preferred
No
Name
(3aS,4R,7R)-1,4,9,9-Tetramethyl-5,6,7,8-tetrahydro-4H-3a,7-methanoazulene
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-Patchouladiene
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-Patchouladiene
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-3a,7-Methanoazulene, 5,6,7,8-tetrahydro-1,4,9,9-tetramethyl-, (3aS,4R,7R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-3a,7-Methanoazulene, 5,6,7,8-tetrahydro-1,4,9,9-tetramethyl-, (3aS,4R,7R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-3a,7-Methanoazulene, 5,6,7,8-tetrahydro-1,4,9,9-tetramethyl-, [3aS-(3a.alpha.,4.beta.,7.alpha.)]-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-3a,7-Methanoazulene, 5,6,7,8-tetrahydro-1,4,9,9-tetramethyl-, [3aS-(3a.alpha.,4.beta.,7.alpha.)]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DPHLFUXQEZYZAP-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
DPHLFUXQEZYZAP-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
看麦娘状莎草KAN MAI NIANG ZHUANG SHA CAOFoxtail-like Galingale(3aS,4R,7R)-1,4,9,9-Tetramethyl-5,6,7,8-tetrahydro-4H-3a,7-methanoazulene2,4-Patchouladiene4H-3a,7-Methanoazulene, 5,6,7,8-tetrahydro-1,4,9,9-tetramethyl-, (3aS,4R,7R)-4H-3a,7-Methanoazulene, 5,6,7,8-tetrahydro-1,4,9,9-tetramethyl-, [3aS-(3a.alpha.,4.beta.,7.alpha.)]-DPHLFUXQEZYZAP-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022491
Npass
NPC145951
Tcmid
4572
Pub Chem
7481945091752784
Tcmbank
TCMBANKIN050475
Etcm Ingredient
Cypera-2,4-diene
Itcmdb Generated
ITX-INGREDIENT-44AA366BE07D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H22/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h7-8,11-12H,5-6,9H2,1-4H3
Mol Wt
202.341
Mol Log P
4.335100000000003
In Ch Ikey
DPHLFUXQEZYZAP-UHFFFAOYSA-N
Tcm Name
看麦娘状莎草
Tcm Name2
KAN MAI NIANG ZHUANG SHA CAO
Mol2 Path
/TCM_database/2007_3d_all/04573.mol2
Reference
5129
Num Hdonors
0
Tcm Name En
Foxtail-like Galingale
Drug Likeness
0.548
Num Hacceptors
0
Isomeric Smiles
CC1CCC2CC3=C(C=CC13C2(C)C)C
Canonical Smiles
CC1CCC2CC3=C(C=CC13C2(C)C)C
Herb Alias Names
2,4-PatchouladieneDPHLFUXQEZYZAP-UHFFFAOYSA-N(3aS,4R,7R)-1,4,9,9-Tetramethyl-5,6,7,8-tetrahydro-4H-3a,7-methanoazulene4H-3a,7-Methanoazulene, 5,6,7,8-tetrahydro-1,4,9,9-tetramethyl-, (3aS,4R,7R)-4H-3a,7-Methanoazulene, 5,6,7,8-tetrahydro-1,4,9,9-tetramethyl-, [3aS-(3a.alpha.,4.beta.,7.alpha.)]-
Molecular Weight
202.170
Molecular Weight
202.33 g/mol
Molecular Formula
C15H22
Molecular Formula
C15H22
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.915
Quantitative Estimate Of Drug Likeness（Qed）
0.548