Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 4Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32386
- Core Entity Id
- 39188
- Source Entity Count
- 1
- Preferred Name
- (s)-(+)-alpha-phellandrene
- Name En
- Pubchem Id
- 443160
- Smiles Canonical
- CC1=CCC(C=C1)C(C)C
- Molecular Formula
- C10H16
- Molecular Weight
- 136.2380
- Inchikey
- OGLDWXZKYODSOB-JTQLQIEISA-N
- Inchi
- InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1
- Isomeric Smiles
- CC1=CC[C@H](C=C1)C(C)C
- Cas Id
- 2243-33-6
- Ob Score
- 27.9020
- Mol Logp
- 3.1648
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5190
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(S)-(+)-Alpha-Phellandrene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(S)-(+)-Alpha-Phellandrene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(S)-(+)-alpha-Phellandrene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(s)-(+)-alpha-phellandrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(s)-(+)-alpha-phellandrene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-alpha-phellandrene
Role
alias
Source
HERB_v2
Preferred
No
Name
(5S)-2-methyl-5-propan-2-yl-cyclohexa-1,3-diene
Role
alias
Source
TCMBank
Preferred
No
Name
(5S)-5-isopropyl-2-methyl-cyclohexa-1,3-diene
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-alpha-Phellandrene
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-alpha-Phellandrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
2243-33-6
Role
alias
Source
TCMBank
Preferred
No
Name
2243-33-6
Role
alias
Source
HERB_v2
Preferred
No
Name
2243-33-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
C11391
Role
alias
Source
TCMBank
Preferred
No
Name
E45FS72C5K
Role
alias
Source
HERB_v2
Preferred
No
Name
E45FS72C5K
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-E45FS72C5K
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-E45FS72C5K
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Phellandrene, (+)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
d-Phellandrene
Role
alias
Source
HERB_v2
Preferred
No
Name
d-Phellandrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
d-alpha-Phellandrene
Role
alias
Source
HERB_v2
Preferred
No
Name
d-alpha-Phellandrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Mentha-1,5-diene, (S)-(+)-
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Mentha-1,5-diene, (S)-(+)-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-alpha-phellandrene(5S)-2-methyl-5-propan-2-yl-cyclohexa-1,3-diene(5S)-5-isopropyl-2-methyl-cyclohexa-1,3-diene(S)-alpha-Phellandrene2243-33-6C11391E45FS72C5KUNII-E45FS72C5Kalpha-Phellandrene, (+)-d-Phellandrened-alpha-Phellandrenep-Mentha-1,5-diene, (S)-(+)-
Cross References
Trusted external identifiers retained for this final record.
Cas
2243-33-6
Herb
HBIN042875
Npass
NPC232375
Tcmsp
MOL000200
Sym Map
SMIT02848
Pub Chem
443160
Tcmbank
TCMBANKIN002787
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1
Mol Wt
136.238
Cas Id
2243-33-6
Smiles
CC1=CCC(C=C1)C(C)C
Mol Log P
3.164800000000002
Version
v1,v2
In Ch Ikey
OGLDWXZKYODSOB-JTQLQIEISA-N
Ob Score
27.90227.9022997527.9023
Suppress
0
Num Hdonors
0
Drug Likeness
0.519
Num Hacceptors
0
Isomeric Smiles
CC1=CC[C@H](C=C1)C(C)C
Molecule Weight
136.26
Canonical Smiles
CC1=CCC(C=C1)C(C)C
Herb Alias Names
(+)-alpha-phellandrened-Phellandrened-alpha-Phellandrene2243-33-6(S)-alpha-Phellandrenealpha-Phellandrene, (+)-UNII-E45FS72C5Kp-Mentha-1,5-diene, (S)-(+)-E45FS72C5K
Molecular Weight
136.23
Molecular Formula
C10H16
Molecular Formula
C10H16
Num Rotatable Bonds
1