Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9239
- Core Entity Id
- 13435
- Source Entity Count
- 1
- Preferred Name
- 9-tricosene
- Name En
- Pubchem Id
- 6385060
- Smiles Canonical
- CCCCCCCCCCCCCC=CCCCCCCCC
- Molecular Formula
- C23H46
- Molecular Weight
- 322.6210
- Inchikey
- IGOWHGRNPLFNDJ-HTXNQAPBSA-N
- Inchi
- InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17+
- Isomeric Smiles
- CCCCCCCCCCCCC/C=C/CCCCCCCC
- Cas Id
- 35857-62-6
- Ob Score
- 16.6600
- Mol Logp
- 8.9943
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 19
- Drug Likeness
- 0.1640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9-Tricosene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
9-Tricosene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
9-Tricosene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9-tricosene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
9-tricosene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(E)-9-Tricosene
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-9-Tricosene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-9-Tricosene
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-tricos-9-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-tricos-9-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-tricos-9-ene
Role
alias
Source
TCMBank
Preferred
No
Name
35857-62-6
Role
alias
Source
TCMBank
Preferred
No
Name
35857-62-6
Role
alias
Source
HERB_v2
Preferred
No
Name
35857-62-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
52078-48-5
Role
alias
Source
TCMBank
Preferred
No
Name
52078-48-5
Role
alias
Source
HERB_v2
Preferred
No
Name
52078-48-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Tricosene, (9E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Tricosene, (9E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
9-Tricosene, (E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Tricosene, (E)-
Role
alias
Source
TCMBank
Preferred
No
Name
9-Tricosene, (E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
EPA Pesticide Chemical Code 103202
Role
alias
Source
TCMBank
Preferred
No
Name
SBB009035
Role
alias
Source
TCMBank
Preferred
No
Name
T192MHP98E
Role
alias
Source
HERB_v2
Preferred
No
Name
T192MHP98E
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tech. Muscalure
Role
alias
Source
HERB_v2
Preferred
No
Name
Tech. Muscalure
Role
alias
Source
TCMBank
Preferred
No
Name
Tech. Muscalure
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-9-Tricosene
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-9-Tricosene
Role
alias
Source
TCMBank
Preferred
No
Name
trans-9-Tricosene
Role
alias
Source
itcmdb_public
Preferred
No
Name
tricos-9-ene
Role
alias
Source
TCMBank
Preferred
No
Name
Muscamone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tricosene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(9Z)-Tricosene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-9-Tricosene
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-tricos-9-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
27519-02-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Tricosene, (9Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
9-Tricosene, (Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
9Z-Tricosene
Role
alias
Source
HERB_v2
Preferred
No
Name
Muscalure
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-9-Tricosene
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-Tricos-9-ene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-9-Tricosene(E)-tricos-9-ene35857-62-652078-48-59-Tricosene, (9E)-9-Tricosene, (E)-EPA Pesticide Chemical Code 103202SBB009035T192MHP98ETech. Muscaluretrans-9-Tricosenetricos-9-eneMuscamoneTricosene(9Z)-Tricosene(Z)-9-Tricosene(Z)-tricos-9-ene27519-02-49-Tricosene, (9Z)-9-Tricosene, (Z)-9Z-TricoseneMuscalurecis-9-Tricosenecis-Tricos-9-ene
Cross References
Trusted external identifiers retained for this final record.
Cas
35857-62-627519-02-4
Herb
HBIN014193HBIN036007HBIN020802HBIN048812
Npass
NPC81917NPC151719
Tcmid
3527536668
Tcmsp
MOL012999MOL010222
Sym Map
SMIT13706SMIT11284SMIT20028
Pub Chem
63850605365075
Tcmbank
TCMBANKIN010529TCMBANKIN061040
Etcm Ingredient
Muscamone
Itcmdb Generated
ITX-INGREDIENT-9D6E9C52840FITX-INGREDIENT-03AE8027E6EC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17+
Mol Wt
322.6210000000001
Cas Id
35857-62-6
Smiles
CCCCCCCCCCCCCC=CCCCCCCCC
Mol Log P
8.9943
Version
v1,v2
In Ch Ikey
IGOWHGRNPLFNDJ-HTXNQAPBSA-N
Ob Score
16.6616.6601919216.660192
Suppress
0
Num Hdonors
0
Drug Likeness
0.164
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCCCCCC/C=C/CCCCCCCC
Molecule Weight
322.69
Canonical Smiles
CCCCCCCCCCCCCC=CCCCCCCCC
Herb Alias Names
(E)-9-Tricosenetrans-9-Tricosene35857-62-69-Tricosene, (9E)-(E)-tricos-9-ene52078-48-5T192MHP98ETech. Muscalure9-Tricosene, (E)-
Molecular Weight
322.360
Molecular Weight
322.61
Molecule Formula
C23H46
Molecular Formula
C23H46
Molecular Formula
C23H46
Molecular Formula
C23H46
Num Rotatable Bonds
19
Link Ingredient Id
18498.0
Fda Maximum Daily Dose (Fdamdd)
0.036
Quantitative Estimate Of Drug Likeness（Qed）
0.164