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
- 15159
- Core Entity Id
- 20015
- Source Entity Count
- 1
- Preferred Name
- Copadiene
- Name En
- Pubchem Id
- 5316058
- Smiles Canonical
- CC(C)C1CCC2(C3C1C2C(=C)C=C3)C
- Molecular Formula
- C15H22
- Molecular Weight
- 202.3410
- Inchikey
- ADVJSMBYHNLAGK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H22/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5-6,9,11-14H,3,7-8H2,1-2,4H3
- Isomeric Smiles
- CC(C)C1CCC2(C3C1C2C(=C)C=C3)C
- Cas Id
- Ob Score
- Mol Logp
- 4.0469
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Copadiene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Copadiene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Copadiene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Copadiene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Copadiene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
copadiene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene
Role
alias
Source
SymMap_v2
Preferred
No
Name
(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene
Role
alias
Source
HERB_v2
Preferred
No
Name
(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene
Role
alias
Source
TCMBank
Preferred
No
Name
1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0
Role
alias
Source
TCMBank
Preferred
No
Name
1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0;{2,7}]dec-3-ene
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0^{2,7}]dec-3-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0^{2,7}]dec-3-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4(15)-Copadiene
Role
alias
Source
TCMBank
Preferred
No
Name
2,4(15)-Copadiene
Role
alias
Source
SymMap_v2
Preferred
No
Name
27597-38-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
27597-38-2
Role
alias
Source
HERB_v2
Preferred
No
Name
27597-38-2
Role
alias
Source
SymMap_v2
Preferred
No
Name
27597-38-2
Role
alias
Source
TCMBank
Preferred
No
Name
8-ISOPROPYL-1-METHYL-5-METHYLIDENETRICYCLO[4.4.0.0(2),?]DEC-3-ENE
Role
alias
Source
SymMap_v2
Preferred
No
Name
8-ISOPROPYL-1-METHYL-5-METHYLIDENETRICYCLO[4.4.0.0(2),?]DEC-3-ENE
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID501129929
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID501129929
Role
alias
Source
itcmdb_public
Preferred
No
Name
Stereoisomer of 1-methyl-5-methylene-8-(1-methylethyl)tricyclo[4.4.0.02,7]dec-3-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
Stereoisomer of 1-methyl-5-methylene-8-(1-methylethyl)tricyclo[4.4.0.02,7]dec-3-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
{2,7}]dec-3-ene
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[4.4.0.01-methyl-5-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0;{2,7}]dec-3-ene1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0^{2,7}]dec-3-ene2,4(15)-Copadiene27597-38-28-ISOPROPYL-1-METHYL-5-METHYLIDENETRICYCLO[4.4.0.0(2),?]DEC-3-ENEDTXSID501129929Stereoisomer of 1-methyl-5-methylene-8-(1-methylethyl)tricyclo[4.4.0.02,7]dec-3-ene{2,7}]dec-3-ene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021420
Npass
NPC298936
Tcmid
4028
Sym Map
SMIT14747
Tcm Id
5509
Pub Chem
5316058
Tcmbank
TCMBANKIN039085
Etcm Ingredient
Copadiene
Itcmdb Generated
ITX-INGREDIENT-C8607EB5DFEE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H22/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5-6,9,11-14H,3,7-8H2,1-2,4H3
Mol Wt
202.341
Smiles
CC(C)C1CCC2(C3C1C2C(=C)C=C3)C
Mol Log P
4.046900000000003
Version
v1,v2
In Ch Ikey
ADVJSMBYHNLAGK-UHFFFAOYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/04028.mol2
Reference
6
Num Hdonors
0
Drug Likeness
0.602
Num Hacceptors
0
Isomeric Smiles
CC(C)C1CCC2(C3C1C2C(=C)C=C3)C
Canonical Smiles
CC(C)C1CCC2(C3C1C2C(=C)C=C3)C
Herb Alias Names
(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene27597-38-2DTXSID5011299291-methyl-5-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0^{2,7}]dec-3-eneStereoisomer of 1-methyl-5-methylene-8-(1-methylethyl)tricyclo[4.4.0.02,7]dec-3-ene
Molecular Weight
202.170
Molecular Weight
202.33 g/mol
Molecule Formula
C15H22
Molecular Formula
C15H22
Molecular Formula
C15H22
Molecular Formula
C15H22
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.907
Quantitative Estimate Of Drug Likeness（Qed）
0.602