Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 40043
- Core Entity Id
- 79432
- Source Entity Count
- 1
- Preferred Name
- (1s,5s)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane
- Name En
- Pubchem Id
- 11051711
- Smiles Canonical
- CC(C)C12CCC(=C)C1C2
- Molecular Formula
- C10H16
- Molecular Weight
- 136.2380
- Inchikey
- NDVASEGYNIMXJL-UWVGGRQHSA-N
- Inchi
- InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1
- Isomeric Smiles
- CC(C)[C@@]12CCC(=C)[C@@H]1C2
- Cas Id
- 87-41-5
- Ob Score
- 46.2050
- Mol Logp
- 2.9987
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1S,5S)-1-Isopropyl-4-Methylenebicyclo[3.1.0]Hexane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1s,5s)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1s,5s)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-Sabinene
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,5S)-(-)-Sabinene
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,5S)-sabinene
Role
alias
Source
itcmdb_public
Preferred
No
Name
0W0K1SDY3N
Role
alias
Source
HERB_v2
Preferred
No
Name
0W0K1SDY3N
Role
alias
Source
itcmdb_public
Preferred
No
Name
10408-16-9
Role
alias
Source
HERB_v2
Preferred
No
Name
10408-16-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
4(10)-Thujene, (-)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4(10)-Thujene, (-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sabinene, (-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-0W0K1SDY3N
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-0W0K1SDY3N
Role
alias
Source
itcmdb_public
Preferred
No
Name
l-Sabinene
Role
alias
Source
HERB_v2
Preferred
No
Name
l-Sabinene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,5R)-1-Isopropyl-4-Methylenebicyclo[3.1.0]Hexane
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(1R,5R)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1r,5r)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sabenene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(+)-Sabinene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,5R)-(+)-Sabinene
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,5R)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,5R)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane
Role
alias
Source
TCMBank
Preferred
No
Name
2009-00-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
7D1TL44GPC
Role
alias
Source
itcmdb_public
Preferred
No
Name
BB_NC-1492
Role
alias
Source
TCMBank
Preferred
No
Name
Sabinen
Role
alias
Source
HERB_v2
Preferred
No
Name
THUJENE, 4(10)-
Role
alias
Source
HERB_v2
Preferred
No
Name
d-Sabinene
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Sabinene(1S,5S)-(-)-Sabinene(1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane(1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane(1S,5S)-sabinene0W0K1SDY3N10408-16-94(10)-Thujene, (-)-Sabinene, (-)-UNII-0W0K1SDY3Nl-Sabinene(1R,5R)-1-Isopropyl-4-Methylenebicyclo[3.1.0]HexaneSabenene(+)-Sabinene(1R,5R)-(+)-Sabinene(1R,5R)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane(1R,5R)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane2009-00-97D1TL44GPCBB_NC-1492SabinenTHUJENE, 4(10)-d-Sabinene
Cross References
Trusted external identifiers retained for this final record.
Cas
87-41-52009-00-9
Herb
HBIN003305HBIN003149HBIN042722
Npass
NPC22229NPC246165NPC287660
Tcmid
3523039438
Tcmsp
MOL000268MOL001296
Sym Map
SMIT02907SMIT03741
Pub Chem
1105171110887971
Tcmbank
TCMBANKIN007637TCMBANKIN007618TCMBANKIN059195
Etcm Ingredient
(1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane
Itcmdb Generated
ITX-INGREDIENT-BDC32952EFB8
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1
Mol Wt
136.238
Cas Id
87-41-5
Smiles
CC(C)C12CCC(=C)C1C2
Mol Log P
2.998700000000001
Version
v1,v2
In Ch Ikey
NDVASEGYNIMXJL-UWVGGRQHSA-N
Ob Score
46.20546.20510946.2051091
Suppress
0
Num Hdonors
0
Drug Likeness
0.486
Num Hacceptors
0
Isomeric Smiles
CC(C)[C@@]12CCC(=C)[C@@H]1C2
Molecule Weight
136.26
Canonical Smiles
CC(C)C12CCC(=C)C1C2
Herb Alias Names
(-)-Sabinene10408-16-9l-SabineneSabinene, (-)-0W0K1SDY3N(1S,5S)-(-)-Sabinene(1S,5S)-sabinene4(10)-Thujene, (-)-UNII-0W0K1SDY3N
Molecular Weight
136.130
Molecular Weight
136.23 g/mol
Molecular Formula
C10H16
Molecular Formula
C10H16
Molecular Formula
C10H16
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.156
Quantitative Estimate Of Drug Likeness（Qed）
0.486