Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 8Ingredient: 1Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13335
- Core Entity Id
- 17990
- Source Entity Count
- 1
- Preferred Name
- Cadina-9,11(12)-diene
- Name En
- Pubchem Id
- 5315586
- Smiles Canonical
- CC1CCC2C(C1)C(CC=C2C)C(=C)C
- Molecular Formula
- C15H24
- Molecular Weight
- 204.3570
- Inchikey
- DZTRMTFGDPGXQR-LLGZUXRYSA-N
- Inchi
- InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,11,13-15H,1,5,7-9H2,2-4H3/t11-,13?,14?,15-/m0/s1
- Isomeric Smiles
- C[C@H]1CCC2[C@@H](C1)C(CC=C2C)C(=C)C
- Cas Id
- Ob Score
- 20.6709
- Mol Logp
- 4.5811
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cadina-9,11(12)-Diene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cadina-9,11(12)-diene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cadina-9,11(12)-diene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cadina-9,11(12)-diene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cadina-9,11(12)-diene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cadina-9,11(12)-diene
Role
alias
Source
TCMBank
Preferred
No
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019248
Npass
NPC259317
Tcmid
2846
Tcmsp
MOL009716
Sym Map
SMIT10805
Pub Chem
5315586
Tcmbank
TCMBANKIN001434
Etcm Ingredient
Cadina-9,11(12)-diene
Itcmdb Generated
ITX-INGREDIENT-1457603C6FEF
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,11,13-15H,1,5,7-9H2,2-4H3/t11-,13?,14?,15-/m0/s1
Mol Wt
204.357
Smiles
CC1CCC2C(C1)C(CC=C2C)C(=C)C
Mol Log P
4.581100000000004
Version
v1,v2
In Ch Ikey
DZTRMTFGDPGXQR-LLGZUXRYSA-N
Ob Score
20.67092920.6709292220.671
Suppress
0
Num Hdonors
0
Drug Likeness
0.548
Num Hacceptors
0
Isomeric Smiles
C[C@H]1CCC2[C@@H](C1)C(CC=C2C)C(=C)C
Molecule Weight
204.39
Canonical Smiles
CC1CCC2C(C1)C(CC=C2C)C(=C)C
Molecular Weight
204.190
Molecular Weight
204.39
Molecular Formula
C15H24
Molecular Formula
C15H24
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.159
Quantitative Estimate Of Drug Likeness（Qed）
0.548