Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12264
- Core Entity Id
- 16800
- Source Entity Count
- 1
- Preferred Name
- Delta-carene
- Name En
- Pubchem Id
- 121493613
- Smiles Canonical
- CC1(C2C1CC(=C)CC2)C
- Molecular Formula
- C10H16
- Molecular Weight
- 136.2380
- Inchikey
- LCWMKIHBLJLORW-DTWKUNHWSA-N
- Inchi
- InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
- Isomeric Smiles
- CC1([C@@H]2[C@H]1CC(=C)CC2)C
- Cas Id
- Ob Score
- Mol Logp
- 2.9987
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Delta-carene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Delta-carene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
delta-carene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-3(10)-Carene
Role
alias
Source
HERB_v2
Preferred
No
Name
3(10)-Carene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3(10)-Carene, (1R,6S)-(-)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3(10)-Carene, (1R,6S)-(-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5503-91-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
5503-91-3
Role
alias
Source
HERB_v2
Preferred
No
Name
554-60-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
554-60-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Bicyclo(4.1.0)heptane, 7,7-dimethyl-3-methylene-, (1R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Bicyclo(4.1.0)heptane, 7,7-dimethyl-3-methylene-, (1R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Norcarane, 7,7-dimethyl-3-methylene-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Norcarane, 7,7-dimethyl-3-methylene-
Role
alias
Source
HERB_v2
Preferred
No
Name
PSEUDOCARENE
Role
alias
Source
HERB_v2
Preferred
No
Name
Pseudocarene, (-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
RTR3M4S6PR
Role
alias
Source
HERB_v2
Preferred
No
Name
RTR3M4S6PR
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-3(10)-Carene3(10)-Carene3(10)-Carene, (1R,6S)-(-)-5503-91-3554-60-9Bicyclo(4.1.0)heptane, 7,7-dimethyl-3-methylene-, (1R)-Norcarane, 7,7-dimethyl-3-methylene-PSEUDOCARENEPseudocarene, (-)-RTR3M4S6PR
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023200
Tcmid
30742
Pub Chem
121493613
Tcmbank
TCMBANKIN020477
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
Mol Wt
136.238
Smiles
CC1(C2C1CC(=C)CC2)C
Mol Log P
2.998700000000001
In Ch Ikey
LCWMKIHBLJLORW-DTWKUNHWSA-N
Num Hdonors
0
Drug Likeness
0.449
Num Hacceptors
0
Isomeric Smiles
CC1([C@@H]2[C@H]1CC(=C)CC2)C
Canonical Smiles
CC1(C2C1CC(=C)CC2)C
Herb Alias Names
PSEUDOCARENEPseudocarene, (-)-RTR3M4S6PR(-)-3(10)-Carene554-60-93(10)-Carene, (1R,6S)-(-)-Bicyclo(4.1.0)heptane, 7,7-dimethyl-3-methylene-, (1R)-Norcarane, 7,7-dimethyl-3-methylene-5503-91-33(10)-Carene
Molecular Formula
C10H16
Molecular Formula
C10H16
Num Rotatable Bonds
0