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
- 10388
- Core Entity Id
- 14707
- Source Entity Count
- 1
- Preferred Name
- (+)-alpha-longipinene(3-longipinene)
- Name En
- Pubchem Id
- 42608167
- Smiles Canonical
- CC1=CCC2C3C1C2(CCCC3(C)C)C
- Molecular Formula
- C15H24
- Molecular Weight
- 204.3570
- Inchikey
- HICYDYJTCDBHMZ-WOFVOEOOSA-N
- Inchi
- InChI=1S/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h6,11-13H,5,7-9H2,1-4H3/t11?,12?,13?,15-/m0/s1
- Isomeric Smiles
- CC1=CCC2C3C1[C@]2(CCCC3(C)C)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
(+)-alpha-longipinene(3-longipinene)
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(+)-alpha-longipinene(3-longipinene)
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-3-longipinene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-3-longipinene
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-alpha-Longipinene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-alpha-Longipinene
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPR0103490001
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPR0103490001
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-3-longipinene(+)-alpha-LongipineneLMPR0103490001
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015591
Npass
NPC217803
Tcmid
39614
Pub Chem
42608167
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h6,11-13H,5,7-9H2,1-4H3/t11?,12?,13?,15-/m0/s1
Mol Wt
204.3569999999999
Mol Log P
4.415000000000004
In Ch Ikey
HICYDYJTCDBHMZ-WOFVOEOOSA-N
Num Hdonors
0
Drug Likeness
0.513
Num Hacceptors
0
Isomeric Smiles
CC1=CCC2C3C1[C@]2(CCCC3(C)C)C
Canonical Smiles
CC1=CCC2C3C1C2(CCCC3(C)C)C
Herb Alias Names
(+)-alpha-Longipinene(+)-3-longipineneLMPR0103490001
Molecular Formula
C15H24
Num Rotatable Bonds
0