Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31750
- Core Entity Id
- 38479
- Source Entity Count
- 1
- Preferred Name
- Resin
- Name En
- Pubchem Id
- 133110026
- Smiles Canonical
- C1=CC=C(C=C1)COC2=CC=C(C=C2)COC(=O)N3C=CN=C3
- Molecular Formula
- C15H24
- Molecular Weight
- 204.3570
- Inchikey
- SPCXZDDGSGTVAW-GXWLMAPZSA-N
- Inchi
- InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11?,12-,14-/m0/s1
- Isomeric Smiles
- C[C@H]1CC[C@H]2[C@H](C2(C)C)C3=C(CCC13)C
- Cas Id
- Ob Score
- Mol Logp
- 4.4150
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Resin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Resin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Resin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
resin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
489-40-7
Role
alias
Source
HERB_v2
Preferred
No
Name
489-40-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Gurjunene (-)-alpha-Gurjunene 489-40-7 (1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene alpha-Grujunene
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Gurjunene (-)-alpha-Gurjunene 489-40-7 (1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene alpha-Grujunene
Role
alias
Source
HERB_v2
Preferred
No
Name
balsam
Role
alias
Source
HERB_v2
Preferred
No
Name
balsam
Role
alias
Source
itcmdb_public
Preferred
No
Name
dipterocarpus
Role
alias
Source
HERB_v2
Preferred
No
Name
dipterocarpus
Role
alias
Source
itcmdb_public
Preferred
No
Name
exudate
Role
alias
Source
itcmdb_public
Preferred
No
Name
exudate
Role
alias
Source
HERB_v2
Preferred
No
Name
fire
Role
alias
Source
itcmdb_public
Preferred
No
Name
fire
Role
alias
Source
HERB_v2
Preferred
No
Name
incense stick
Role
alias
Source
itcmdb_public
Preferred
No
Name
incense stick
Role
alias
Source
HERB_v2
Preferred
No
Name
malaysia
Role
alias
Source
itcmdb_public
Preferred
No
Name
malaysia
Role
alias
Source
HERB_v2
Preferred
No
Name
topping
Role
alias
Source
itcmdb_public
Preferred
No
Name
topping
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
489-40-7alpha-Gurjunene (-)-alpha-Gurjunene 489-40-7 (1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene alpha-Grujunenebalsamdipterocarpusexudatefireincense stickmalaysiatopping
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042101
Npass
NPC241027
Tcmid
33005
Sym Map
SMIT18365SMIT26465
Pub Chem
133110026
Tcmbank
TCMBANKIN010623
Itcmdb Generated
ITX-INGREDIENT-DB4EEECA0D27
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11?,12-,14-/m0/s1
Mol Wt
204.3569999999999
Smiles
C1=CC=C(C=C1)COC2=CC=C(C=C2)COC(=O)N3C=CN=C3
Mol Log P
4.415000000000004
Version
v2
In Ch Ikey
SPCXZDDGSGTVAW-GXWLMAPZSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.513
Num Hacceptors
0
Isomeric Smiles
C[C@H]1CC[C@H]2[C@H](C2(C)C)C3=C(CCC13)C
Canonical Smiles
CC1CCC2C(C2(C)C)C3=C(CCC13)C
Herb Alias Names
balsamdipterocarpusexudatefiremalaysiatoppingincense stick489-40-7alpha-Gurjunene (-)-alpha-Gurjunene 489-40-7 (1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene alpha-Grujunene
Molecular Formula
C15H24
Num Rotatable Bonds
0